AE61981
1352317-91-9 | 2-Fluoro-5-(4-nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE61981
ChemicalName
2-Fluoro-5-(4-nitrophenyl)benzoic acid
CasNumber
1352317-91-9
MolecularFormula
C13H8FNO4
MolecularWeight
261.2053
MdlNumber
MFCD20491439
Smiles
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C(=O)O)F
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AE61981
ChemicalName: 2-Fluoro-5-(4-nitrophenyl)benzoic acid
CasNumber: 1352317-91-9
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD20491439
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C(=O)O)F
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AE61981
ChemicalName:
2-Fluoro-5-(4-nitrophenyl)benzoic acid
CasNumber:
1352317-91-9
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD20491439
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C(=O)O)F
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AE61982
ChemicalName: 1-{[4-(4-Nitrophenyl)phenyl]carbonyl}piperidine
CasNumber: 1355246-86-4
MolecularFormula: C18H18N2O3
MolecularWeight: 310.3471
MdlNumber: MFCD21332996
Smiles: O=C(c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])N1CCCCC1
Complexity: 413
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AE61982
ChemicalName:
1-{[4-(4-Nitrophenyl)phenyl]carbonyl}piperidine
CasNumber:
1355246-86-4
MolecularFormula:
C18H18N2O3
MolecularWeight:
310.3471
MdlNumber:
MFCD21332996
Smiles:
O=C(c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])N1CCCCC1
Complexity:
413
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: AE61983
ChemicalName: 1-Cyclohexyl-6-fluoro-1,3-benzodiazole
CasNumber: 1365271-29-9
MolecularFormula: C13H15FN2
MolecularWeight: 218.27
MdlNumber: MFCD21609579
Smiles: Fc1ccc2c(c1)n(cn2)C1CCCCC1
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AE61983
ChemicalName:
1-Cyclohexyl-6-fluoro-1,3-benzodiazole
CasNumber:
1365271-29-9
MolecularFormula:
C13H15FN2
MolecularWeight:
218.27
MdlNumber:
MFCD21609579
Smiles:
Fc1ccc2c(c1)n(cn2)C1CCCCC1
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: AE61984
ChemicalName: 4-(2-Acetylphenyl)-2-chlorobenzoic acid
CasNumber: 1355247-96-9
MolecularFormula: C15H11ClO3
MolecularWeight: 274.699
MdlNumber: MFCD21333023
Smiles: OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE61984
ChemicalName:
4-(2-Acetylphenyl)-2-chlorobenzoic acid
CasNumber:
1355247-96-9
MolecularFormula:
C15H11ClO3
MolecularWeight:
274.699
MdlNumber:
MFCD21333023
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4