AA36257
1261898-31-0 | 3-(3-Carboxy-5-fluorophenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36257
ChemicalName
3-(3-Carboxy-5-fluorophenyl)-5-nitrobenzoic acid
CasNumber
1261898-31-0
MolecularFormula
C14H8FNO6
MolecularWeight
305.2148
MdlNumber
MFCD18321487
Smiles
Fc1cc(cc(c1)c1cc(cc(c1)[N+](=O)[O-])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: AA36257
ChemicalName: 3-(3-Carboxy-5-fluorophenyl)-5-nitrobenzoic acid
CasNumber: 1261898-31-0
MolecularFormula: C14H8FNO6
MolecularWeight: 305.2148
MdlNumber: MFCD18321487
Smiles: Fc1cc(cc(c1)c1cc(cc(c1)[N+](=O)[O-])C(=O)O)C(=O)O
Complexity: 465
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA36257
ChemicalName:
3-(3-Carboxy-5-fluorophenyl)-5-nitrobenzoic acid
CasNumber:
1261898-31-0
MolecularFormula:
C14H8FNO6
MolecularWeight:
305.2148
MdlNumber:
MFCD18321487
Smiles:
Fc1cc(cc(c1)c1cc(cc(c1)[N+](=O)[O-])C(=O)O)C(=O)O
Complexity:
465
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1ccc(c(c1)Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1ccc(c(c1)Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: B.B.[Co+2].[Co+2].[Co+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
B.B.[Co+2].[Co+2].[Co+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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CatalogNumber: AA36264
ChemicalName: 5-Methoxy-3-(3-methylphenyl)benzoic acid
CasNumber: 1261914-44-6
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD18318940
Smiles: COc1cc(cc(c1)C(=O)O)c1cccc(c1)C
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA36264
ChemicalName:
5-Methoxy-3-(3-methylphenyl)benzoic acid
CasNumber:
1261914-44-6
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD18318940
Smiles:
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4