AA36419
1261966-64-6 | 3-(4-Methylthiophenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36419
ChemicalName
3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CasNumber
1261966-64-6
MolecularFormula
C14H11NO4S
MolecularWeight
289.3064
MdlNumber
MFCD18320542
Smiles
CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AA36419
ChemicalName: 3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CasNumber: 1261966-64-6
MolecularFormula: C14H11NO4S
MolecularWeight: 289.3064
MdlNumber: MFCD18320542
Smiles: CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA36419
ChemicalName:
3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CasNumber:
1261966-64-6
MolecularFormula:
C14H11NO4S
MolecularWeight:
289.3064
MdlNumber:
MFCD18320542
Smiles:
CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccc(c1)c1ccccc1O)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccc(c1)c1ccccc1O)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)C
Complexity: 310
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)C
Complexity:
310
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA36422
ChemicalName: 3-(Naphthalen-1-yl)-5-nitrobenzoic acid
CasNumber: 1261964-85-5
MolecularFormula: C17H11NO4
MolecularWeight: 293.2735
MdlNumber: MFCD18321576
Smiles: OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Complexity: 433
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36422
ChemicalName:
3-(Naphthalen-1-yl)-5-nitrobenzoic acid
CasNumber:
1261964-85-5
MolecularFormula:
C17H11NO4
MolecularWeight:
293.2735
MdlNumber:
MFCD18321576
Smiles:
OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Complexity:
433
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2