AA36233
1261894-36-3 | 2-Chloro-4-(3-nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36233
ChemicalName
2-Chloro-4-(3-nitrophenyl)benzoic acid
CasNumber
1261894-36-3
MolecularFormula
C13H8ClNO4
MolecularWeight
277.6599
MdlNumber
MFCD18320443
Smiles
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity
357
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AA36233
ChemicalName: 2-Chloro-4-(3-nitrophenyl)benzoic acid
CasNumber: 1261894-36-3
MolecularFormula: C13H8ClNO4
MolecularWeight: 277.6599
MdlNumber: MFCD18320443
Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AA36233
ChemicalName:
2-Chloro-4-(3-nitrophenyl)benzoic acid
CasNumber:
1261894-36-3
MolecularFormula:
C13H8ClNO4
MolecularWeight:
277.6599
MdlNumber:
MFCD18320443
Smiles:
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)c1ccc(cc1F)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)c1ccc(cc1F)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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