AB68115
836-30-6 | 4-Nitrodiphenylamine
Manufacturer: A2B Chem
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CatalogNumber
AB68115
ChemicalName
4-Nitrodiphenylamine
CasNumber
836-30-6
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD00007301
Smiles
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1
NscNumber
33836
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.7
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CatalogNumber: AB68115
ChemicalName: 4-Nitrodiphenylamine
CasNumber: 836-30-6
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD00007301
Smiles: [O-][N+](=O)c1ccc(cc1)Nc1ccccc1
NscNumber: 33836
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AB68115
ChemicalName:
4-Nitrodiphenylamine
CasNumber:
836-30-6
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD00007301
Smiles:
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1
NscNumber:
33836
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N
NscNumber: __
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N
NscNumber:
__
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68118
ChemicalName: 4-Nitroisophthalic acid
CasNumber: 4315-09-7
MolecularFormula: C8H5NO6
MolecularWeight: 211.12840000000003
MdlNumber: MFCD00096224
Smiles: OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
NscNumber: __
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB68118
ChemicalName:
4-Nitroisophthalic acid
CasNumber:
4315-09-7
MolecularFormula:
C8H5NO6
MolecularWeight:
211.12840000000003
MdlNumber:
MFCD00096224
Smiles:
OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
NscNumber:
__
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1