AD25476
1352318-47-8 | 2-Fluoro-4-(4-nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD25476
ChemicalName
2-Fluoro-4-(4-nitrophenyl)benzoic acid
CasNumber
1352318-47-8
MolecularFormula
C13H8FNO4
MolecularWeight
261.2053
MdlNumber
MFCD20491438
Smiles
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AD25476
ChemicalName: 2-Fluoro-4-(4-nitrophenyl)benzoic acid
CasNumber: 1352318-47-8
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD20491438
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AD25476
ChemicalName:
2-Fluoro-4-(4-nitrophenyl)benzoic acid
CasNumber:
1352318-47-8
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD20491438
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(C)cccc1N
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(C)cccc1N
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AD25478
ChemicalName: 3-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber: 1352318-43-4
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD20529480
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)F)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AD25478
ChemicalName:
3-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber:
1352318-43-4
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD20529480
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)F)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: AD25479
ChemicalName: 2-[2-(Methylsulfanyl)phenyl]benzonitrile
CasNumber: 1352318-41-2
MolecularFormula: C14H11NS
MolecularWeight: 225.3088
MdlNumber: MFCD20529501
Smiles: CSc1ccccc1c1ccccc1C#N
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AD25479
ChemicalName:
2-[2-(Methylsulfanyl)phenyl]benzonitrile
CasNumber:
1352318-41-2
MolecularFormula:
C14H11NS
MolecularWeight:
225.3088
MdlNumber:
MFCD20529501
Smiles:
CSc1ccccc1c1ccccc1C#N
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.8