AF00648
159190-73-5 | 4-Nitro-3-(phenylamino)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00648
ChemicalName
4-Nitro-3-(phenylamino)benzoic acid
CasNumber
159190-73-5
MolecularFormula
C13H10N2O4
MolecularWeight
258.2295
MdlNumber
MFCD22549307
Smiles
OC(=O)c1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AF00648
ChemicalName: 4-Nitro-3-(phenylamino)benzoic acid
CasNumber: 159190-73-5
MolecularFormula: C13H10N2O4
MolecularWeight: 258.2295
MdlNumber: MFCD22549307
Smiles: OC(=O)c1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AF00648
ChemicalName:
4-Nitro-3-(phenylamino)benzoic acid
CasNumber:
159190-73-5
MolecularFormula:
C13H10N2O4
MolecularWeight:
258.2295
MdlNumber:
MFCD22549307
Smiles:
OC(=O)c1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Nc1ccccc1
Complexity: 389
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Nc1ccccc1
Complexity:
389
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AF00650
ChemicalName: 4-Ethoxypicoline
CasNumber: 18615-87-7
MolecularFormula: C8H11NO
MolecularWeight: 137.179
MdlNumber: MFCD20489568
Smiles: CCOc1ccnc(c1)C
Complexity: 95.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AF00650
ChemicalName:
4-Ethoxypicoline
CasNumber:
18615-87-7
MolecularFormula:
C8H11NO
MolecularWeight:
137.179
MdlNumber:
MFCD20489568
Smiles:
CCOc1ccnc(c1)C
Complexity:
95.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)Nc1ccccc1)C(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)Nc1ccccc1)C(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__