AA99243
176508-81-9 | 4-cyano-3-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99243
ChemicalName
4-cyano-3-fluorobenzoic acid
CasNumber
176508-81-9
MolecularFormula
C8H4FNO2
MolecularWeight
165.12126320000002
MdlNumber
MFCD03094324
Smiles
N#Cc1ccc(cc1F)C(=O)O
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AA99243
ChemicalName: 4-cyano-3-fluorobenzoic acid
CasNumber: 176508-81-9
MolecularFormula: C8H4FNO2
MolecularWeight: 165.12126320000002
MdlNumber: MFCD03094324
Smiles: N#Cc1ccc(cc1F)C(=O)O
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AA99243
ChemicalName:
4-cyano-3-fluorobenzoic acid
CasNumber:
176508-81-9
MolecularFormula:
C8H4FNO2
MolecularWeight:
165.12126320000002
MdlNumber:
MFCD03094324
Smiles:
N#Cc1ccc(cc1F)C(=O)O
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCC[Sn](C(=CF)F)(CCCC)CCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularWeight:
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Smiles:
CCCC[Sn](C(=CF)F)(CCCC)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C([C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
O=C([C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COP(=O)(CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COP(=O)(CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__