AA36408
1261953-10-9 | 3-(3-Methylphenyl)-5-trifluoromethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36408
ChemicalName
3-(3-Methylphenyl)-5-trifluoromethylbenzoic acid
CasNumber
1261953-10-9
MolecularFormula
C15H11F3O2
MolecularWeight
280.2418
MdlNumber
MFCD18318949
Smiles
Cc1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.3
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CatalogNumber: AA36408
ChemicalName: 3-(3-Methylphenyl)-5-trifluoromethylbenzoic acid
CasNumber: 1261953-10-9
MolecularFormula: C15H11F3O2
MolecularWeight: 280.2418
MdlNumber: MFCD18318949
Smiles: Cc1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AA36408
ChemicalName:
3-(3-Methylphenyl)-5-trifluoromethylbenzoic acid
CasNumber:
1261953-10-9
MolecularFormula:
C15H11F3O2
MolecularWeight:
280.2418
MdlNumber:
MFCD18318949
Smiles:
Cc1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.3
CatalogNumber: AA36409
ChemicalName: 3-(3-Methylphenyl)-5-nitrobenzoic acid
CasNumber: 1261953-03-0
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD18318947
Smiles: Cc1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA36409
ChemicalName:
3-(3-Methylphenyl)-5-nitrobenzoic acid
CasNumber:
1261953-03-0
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD18318947
Smiles:
Cc1cccc(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(cc(c1)c1ccccc1C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(cc(c1)c1ccccc1C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36411
ChemicalName: 2-(4-BOC-Aminophenyl)nicotinic acid
CasNumber: 1261951-56-7
MolecularFormula: C17H18N2O4
MolecularWeight: 314.3358
MdlNumber: MFCD18318702
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1)c1ncccc1C(=O)O
Complexity: 425
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AA36411
ChemicalName:
2-(4-BOC-Aminophenyl)nicotinic acid
CasNumber:
1261951-56-7
MolecularFormula:
C17H18N2O4
MolecularWeight:
314.3358
MdlNumber:
MFCD18318702
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1)c1ncccc1C(=O)O
Complexity:
425
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.6