AC41405
82231-53-6 | (4-Bromo-1H-pyrazol-1-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC41405
ChemicalName
(4-Bromo-1H-pyrazol-1-yl)acetic acid
CasNumber
82231-53-6
MolecularFormula
C5H5BrN2O2
MolecularWeight
205.0094
MdlNumber
MFCD00159632
Smiles
OC(=O)Cn1cc(cn1)Br
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AC41405
ChemicalName: (4-Bromo-1H-pyrazol-1-yl)acetic acid
CasNumber: 82231-53-6
MolecularFormula: C5H5BrN2O2
MolecularWeight: 205.0094
MdlNumber: MFCD00159632
Smiles: OC(=O)Cn1cc(cn1)Br
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AC41405
ChemicalName:
(4-Bromo-1H-pyrazol-1-yl)acetic acid
CasNumber:
82231-53-6
MolecularFormula:
C5H5BrN2O2
MolecularWeight:
205.0094
MdlNumber:
MFCD00159632
Smiles:
OC(=O)Cn1cc(cn1)Br
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1[nH]cnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1[nH]cnc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCCCC=C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCCCCCCC=C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCCCC/C=C/C=C/C=C/CCCCCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCC/C=C/C=C/C=C/CCCCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__