AA36235
1261894-05-6 | 3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36235
ChemicalName
3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid
CasNumber
1261894-05-6
MolecularFormula
C14H9NO6
MolecularWeight
287.2244
MdlNumber
MFCD18320318
Smiles
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2
Complexity
422
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA36235
ChemicalName: 3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid
CasNumber: 1261894-05-6
MolecularFormula: C14H9NO6
MolecularWeight: 287.2244
MdlNumber: MFCD18320318
Smiles: OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA36235
ChemicalName:
3-(3,4-Methylenedioxyphenyl)-5-nitrobenzoic acid
CasNumber:
1261894-05-6
MolecularFormula:
C14H9NO6
MolecularWeight:
287.2244
MdlNumber:
MFCD18320318
Smiles:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AA36236
ChemicalName: 2-(4-Carboxy-3-fluorophenyl)benzoic acid
CasNumber: 1261893-62-2
MolecularFormula: C14H9FO4
MolecularWeight: 260.2173
MdlNumber: MFCD18312662
Smiles: OC(=O)c1ccc(cc1F)c1ccccc1C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36236
ChemicalName:
2-(4-Carboxy-3-fluorophenyl)benzoic acid
CasNumber:
1261893-62-2
MolecularFormula:
C14H9FO4
MolecularWeight:
260.2173
MdlNumber:
MFCD18312662
Smiles:
OC(=O)c1ccc(cc1F)c1ccccc1C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36238
ChemicalName: 3-Fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid
CasNumber: 1261893-04-2
MolecularFormula: C14H10F2O2
MolecularWeight: 248.2248
MdlNumber: MFCD18319632
Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)F)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AA36238
ChemicalName:
3-Fluoro-4-(3-fluoro-4-methylphenyl)benzoic acid
CasNumber:
1261893-04-2
MolecularFormula:
C14H10F2O2
MolecularWeight:
248.2248
MdlNumber:
MFCD18319632
Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)F)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.6