AG32841
505082-76-8 | 2-Fluoro-4-phenylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG32841
ChemicalName
2-Fluoro-4-phenylbenzoic acid
CasNumber
505082-76-8
MolecularFormula
C13H9FO2
MolecularWeight
216.2078
MdlNumber
MFCD07779362
Smiles
OC(=O)c1ccc(cc1F)c1ccccc1
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AG32841
ChemicalName: 2-Fluoro-4-phenylbenzoic acid
CasNumber: 505082-76-8
MolecularFormula: C13H9FO2
MolecularWeight: 216.2078
MdlNumber: MFCD07779362
Smiles: OC(=O)c1ccc(cc1F)c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AG32841
ChemicalName:
2-Fluoro-4-phenylbenzoic acid
CasNumber:
505082-76-8
MolecularFormula:
C13H9FO2
MolecularWeight:
216.2078
MdlNumber:
MFCD07779362
Smiles:
OC(=O)c1ccc(cc1F)c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AG32842
ChemicalName: 1-Methanesulfonylpyrrole
CasNumber: 51832-28-1
MolecularFormula: C5H7NO2S
MolecularWeight: 145.1796
MdlNumber: MFCD05144862
Smiles: CS(=O)(=O)n1cccc1
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AG32842
ChemicalName:
1-Methanesulfonylpyrrole
CasNumber:
51832-28-1
MolecularFormula:
C5H7NO2S
MolecularWeight:
145.1796
MdlNumber:
MFCD05144862
Smiles:
CS(=O)(=O)n1cccc1
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: AG32843
ChemicalName: (2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CasNumber: 51485-76-8
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD06205254
Smiles: OC(=O)/C=C/c1cccn1C
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AG32843
ChemicalName:
(2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CasNumber:
51485-76-8
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD06205254
Smiles:
OC(=O)/C=C/c1cccn1C
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AG32844
ChemicalName: 2-Chloro-4-(2,4-difluorophenyl)benzoic acid
CasNumber: 505082-89-3
MolecularFormula: C13H7ClF2O2
MolecularWeight: 268.6433
MdlNumber: MFCD18319951
Smiles: Fc1ccc(c(c1)F)c1ccc(c(c1)Cl)C(=O)O
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.9
CatalogNumber:
AG32844
ChemicalName:
2-Chloro-4-(2,4-difluorophenyl)benzoic acid
CasNumber:
505082-89-3
MolecularFormula:
C13H7ClF2O2
MolecularWeight:
268.6433
MdlNumber:
MFCD18319951
Smiles:
Fc1ccc(c(c1)F)c1ccc(c(c1)Cl)C(=O)O
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.9