AE62467
1261970-11-9 | 3-(4-Carboxy-3-fluorophenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62467
ChemicalName
3-(4-Carboxy-3-fluorophenyl)-5-nitrobenzoic acid
CasNumber
1261970-11-9
MolecularFormula
C14H8FNO6
MolecularWeight
305.2148
MdlNumber
MFCD18321516
Smiles
[O-][N+](=O)c1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity
465
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AE62467
ChemicalName: 3-(4-Carboxy-3-fluorophenyl)-5-nitrobenzoic acid
CasNumber: 1261970-11-9
MolecularFormula: C14H8FNO6
MolecularWeight: 305.2148
MdlNumber: MFCD18321516
Smiles: [O-][N+](=O)c1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity: 465
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE62467
ChemicalName:
3-(4-Carboxy-3-fluorophenyl)-5-nitrobenzoic acid
CasNumber:
1261970-11-9
MolecularFormula:
C14H8FNO6
MolecularWeight:
305.2148
MdlNumber:
MFCD18321516
Smiles:
[O-][N+](=O)c1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity:
465
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AE62468
ChemicalName: Methyl 5-(dimethoxymethyl)pyridine-2-carboxylate
CasNumber: 125734-49-8
MolecularFormula: C10H13NO4
MolecularWeight: 211.2145
MdlNumber: MFCD22574961
Smiles: COC(=O)c1ccc(cn1)C(OC)OC
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AE62468
ChemicalName:
Methyl 5-(dimethoxymethyl)pyridine-2-carboxylate
CasNumber:
125734-49-8
MolecularFormula:
C10H13NO4
MolecularWeight:
211.2145
MdlNumber:
MFCD22574961
Smiles:
COC(=O)c1ccc(cn1)C(OC)OC
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
0.7
CatalogNumber: AE62469
ChemicalName: Methyl 2-fluoro-5-(4-formylphenyl)benzoate
CasNumber: 1393442-20-0
MolecularFormula: C15H11FO3
MolecularWeight: 258.2444
MdlNumber: MFCD22383729
Smiles: O=Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AE62469
ChemicalName:
Methyl 2-fluoro-5-(4-formylphenyl)benzoate
CasNumber:
1393442-20-0
MolecularFormula:
C15H11FO3
MolecularWeight:
258.2444
MdlNumber:
MFCD22383729
Smiles:
O=Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: AE62470
ChemicalName: 5-[3-(Carboxymethyl)phenyl]-2-fluorobenzoic acid
CasNumber: 1375068-82-8
MolecularFormula: C15H11FO4
MolecularWeight: 274.2438
MdlNumber: MFCD22205805
Smiles: OC(=O)Cc1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AE62470
ChemicalName:
5-[3-(Carboxymethyl)phenyl]-2-fluorobenzoic acid
CasNumber:
1375068-82-8
MolecularFormula:
C15H11FO4
MolecularWeight:
274.2438
MdlNumber:
MFCD22205805
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6