AA48172
1328893-16-8 | 5-Bromo-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA48172
ChemicalName
5-Bromo-1H-pyrazole-3-carboxylic acid
CasNumber
1328893-16-8
MolecularFormula
C4H3BrN2O2
MolecularWeight
190.9828
MdlNumber
MFCD21605341
Smiles
OC(=O)c1cc([nH]n1)Br
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA48172
ChemicalName: 5-Bromo-1H-pyrazole-3-carboxylic acid
CasNumber: 1328893-16-8
MolecularFormula: C4H3BrN2O2
MolecularWeight: 190.9828
MdlNumber: MFCD21605341
Smiles: OC(=O)c1cc([nH]n1)Br
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA48172
ChemicalName:
5-Bromo-1H-pyrazole-3-carboxylic acid
CasNumber:
1328893-16-8
MolecularFormula:
C4H3BrN2O2
MolecularWeight:
190.9828
MdlNumber:
MFCD21605341
Smiles:
OC(=O)c1cc([nH]n1)Br
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1
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MolecularFormula: __
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Smiles: N#Cc1cc(C)ccc1B(O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cc(C)ccc1B(O)O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCC(=O)N1C(=S)OC[C@H]1c1ccccc1
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCC(=O)N1C(=S)OC[C@H]1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCC(=O)N1C(=S)OC[C@@H]1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)N1C(=S)OC[C@@H]1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__