AA36409
1261953-03-0 | 3-(3-Methylphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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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
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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:
__
CasNumber:
__
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
CatalogNumber: AA36412
ChemicalName: 4-(3-Cyano-2-fluorophenyl)phenol
CasNumber: 1261951-45-4
MolecularFormula: C13H8FNO
MolecularWeight: 213.2071
MdlNumber: MFCD18312840
Smiles: N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA36412
ChemicalName:
4-(3-Cyano-2-fluorophenyl)phenol
CasNumber:
1261951-45-4
MolecularFormula:
C13H8FNO
MolecularWeight:
213.2071
MdlNumber:
MFCD18312840
Smiles:
N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3