AC33545
82231-52-5 | 4-Bromo-5-methyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC33545
ChemicalName
4-Bromo-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber
82231-52-5
MolecularFormula
C5H5BrN2O2
MolecularWeight
205.0094
MdlNumber
MFCD08056671
Smiles
OC(=O)c1n[nH]c(c1Br)C
NscNumber
215265
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AC33545
ChemicalName: 4-Bromo-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber: 82231-52-5
MolecularFormula: C5H5BrN2O2
MolecularWeight: 205.0094
MdlNumber: MFCD08056671
Smiles: OC(=O)c1n[nH]c(c1Br)C
NscNumber: 215265
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AC33545
ChemicalName:
4-Bromo-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber:
82231-52-5
MolecularFormula:
C5H5BrN2O2
MolecularWeight:
205.0094
MdlNumber:
MFCD08056671
Smiles:
OC(=O)c1n[nH]c(c1Br)C
NscNumber:
215265
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCOC=C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCCCCCCCCCCOC=C
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RotatableBondCount:
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Smiles: CN(c1cn[nH]c(=O)c1)C
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN(c1cn[nH]c(=O)c1)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=c1[nH]ncc(c1)N1CCCCC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]ncc(c1)N1CCCCC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__