AA64455
146328-87-2 | 5-Cyano-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA64455
ChemicalName
5-Cyano-2-fluorobenzoic acid
CasNumber
146328-87-2
MolecularFormula
C8H4FNO2
MolecularWeight
165.1213
MdlNumber
MFCD03094321
Smiles
N#Cc1ccc(c(c1)C(=O)O)F
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AA64455
ChemicalName: 5-Cyano-2-fluorobenzoic acid
CasNumber: 146328-87-2
MolecularFormula: C8H4FNO2
MolecularWeight: 165.1213
MdlNumber: MFCD03094321
Smiles: N#Cc1ccc(c(c1)C(=O)O)F
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA64455
ChemicalName:
5-Cyano-2-fluorobenzoic acid
CasNumber:
146328-87-2
MolecularFormula:
C8H4FNO2
MolecularWeight:
165.1213
MdlNumber:
MFCD03094321
Smiles:
N#Cc1ccc(c(c1)C(=O)O)F
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AA64456
ChemicalName: 5-Bromo-2-fluorobenzoic acid
CasNumber: 146328-85-0
MolecularFormula: C7H4BrFO2
MolecularWeight: 219.0079
MdlNumber: MFCD00143423
Smiles: Brc1ccc(c(c1)C(=O)O)F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA64456
ChemicalName:
5-Bromo-2-fluorobenzoic acid
CasNumber:
146328-85-0
MolecularFormula:
C7H4BrFO2
MolecularWeight:
219.0079
MdlNumber:
MFCD00143423
Smiles:
Brc1ccc(c(c1)C(=O)O)F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
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Smiles: Fc1ccccc1[C@H](c1ccccc1)O
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Smiles:
Fc1ccccc1[C@H](c1ccccc1)O
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Smiles: O=C(N1CC=C(C1)C(=O)[O-])OCc1ccccc1
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Smiles:
O=C(N1CC=C(C1)C(=O)[O-])OCc1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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