AE80637
171050-06-9 | 3-Cyano-4-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE80637
ChemicalName
3-Cyano-4-fluorobenzoic acid
CasNumber
171050-06-9
MolecularFormula
C8H4FNO2
MolecularWeight
165.1213
MdlNumber
MFCD03094339
Smiles
N#Cc1cc(ccc1F)C(=O)O
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AE80637
ChemicalName: 3-Cyano-4-fluorobenzoic acid
CasNumber: 171050-06-9
MolecularFormula: C8H4FNO2
MolecularWeight: 165.1213
MdlNumber: MFCD03094339
Smiles: N#Cc1cc(ccc1F)C(=O)O
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AE80637
ChemicalName:
3-Cyano-4-fluorobenzoic acid
CasNumber:
171050-06-9
MolecularFormula:
C8H4FNO2
MolecularWeight:
165.1213
MdlNumber:
MFCD03094339
Smiles:
N#Cc1cc(ccc1F)C(=O)O
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AE80638
ChemicalName: Methyl 2-amino-3-fluorobenzoate
CasNumber: 144851-82-1
MolecularFormula: C8H8FNO2
MolecularWeight: 169.153
MdlNumber: MFCD11870179
Smiles: COC(=O)c1cccc(c1N)F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AE80638
ChemicalName:
Methyl 2-amino-3-fluorobenzoate
CasNumber:
144851-82-1
MolecularFormula:
C8H8FNO2
MolecularWeight:
169.153
MdlNumber:
MFCD11870179
Smiles:
COC(=O)c1cccc(c1N)F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCNc1cccc(c1)Cl
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCNc1cccc(c1)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CC(Cc1ccc2c(c1)cccc2)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CC(Cc1ccc2c(c1)cccc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__