AF00667
1437794-79-0 | 4-(3-Fluoro-5-nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00667
ChemicalName
4-(3-Fluoro-5-nitrophenyl)benzoic acid
CasNumber
1437794-79-0
MolecularFormula
C13H8FNO4
MolecularWeight
261.2053
MdlNumber
MFCD24448853
Smiles
Fc1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AF00667
ChemicalName: 4-(3-Fluoro-5-nitrophenyl)benzoic acid
CasNumber: 1437794-79-0
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD24448853
Smiles: Fc1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AF00667
ChemicalName:
4-(3-Fluoro-5-nitrophenyl)benzoic acid
CasNumber:
1437794-79-0
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD24448853
Smiles:
Fc1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AF00668
ChemicalName: 2-Fluoro-5-phenylbenzoic acid
CasNumber: 146328-84-9
MolecularFormula: C13H9FO2
MolecularWeight: 216.2078
MdlNumber: MFCD09042321
Smiles: OC(=O)c1cc(ccc1F)c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AF00668
ChemicalName:
2-Fluoro-5-phenylbenzoic acid
CasNumber:
146328-84-9
MolecularFormula:
C13H9FO2
MolecularWeight:
216.2078
MdlNumber:
MFCD09042321
Smiles:
OC(=O)c1cc(ccc1F)c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AF00669
ChemicalName: 6-Chloro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CasNumber: 1436866-79-3
MolecularFormula: C12H17BClNO2
MolecularWeight: 253.53287999999998
MdlNumber: MFCD16996687
Smiles: CC1(C)OB(OC1(C)C)c1ccc(nc1C)Cl
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF00669
ChemicalName:
6-Chloro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CasNumber:
1436866-79-3
MolecularFormula:
C12H17BClNO2
MolecularWeight:
253.53287999999998
MdlNumber:
MFCD16996687
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(nc1C)Cl
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AF00670
ChemicalName: 2-Chloro-4-nitrophenylboronic acid
CasNumber: 1436612-57-5
MolecularFormula: C6H5BClNO4
MolecularWeight: 201.3722
MdlNumber: MFCD20529452
Smiles: OB(c1ccc(cc1Cl)[N+](=O)[O-])O
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF00670
ChemicalName:
2-Chloro-4-nitrophenylboronic acid
CasNumber:
1436612-57-5
MolecularFormula:
C6H5BClNO4
MolecularWeight:
201.3722
MdlNumber:
MFCD20529452
Smiles:
OB(c1ccc(cc1Cl)[N+](=O)[O-])O
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__