AI30697
134-19-0 | 2-Methoxy-5-methyl-4-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AI30697
ChemicalName
2-Methoxy-5-methyl-4-nitroaniline
CasNumber
134-19-0
MolecularFormula
C8H10N2O3
MolecularWeight
182.1766
MdlNumber
MFCD00035749
Smiles
COc1cc([N+](=O)[O-])c(cc1N)C
NscNumber
50663
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AI30697
ChemicalName: 2-Methoxy-5-methyl-4-nitroaniline
CasNumber: 134-19-0
MolecularFormula: C8H10N2O3
MolecularWeight: 182.1766
MdlNumber: MFCD00035749
Smiles: COc1cc([N+](=O)[O-])c(cc1N)C
NscNumber: 50663
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI30697
ChemicalName:
2-Methoxy-5-methyl-4-nitroaniline
CasNumber:
134-19-0
MolecularFormula:
C8H10N2O3
MolecularWeight:
182.1766
MdlNumber:
MFCD00035749
Smiles:
COc1cc([N+](=O)[O-])c(cc1N)C
NscNumber:
50663
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(C(=O)c1cccc(c1)C)CC
NscNumber: __
Complexity: 187
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(C(=O)c1cccc(c1)C)CC
NscNumber:
__
Complexity:
187
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(=O)c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 230
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(=O)c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
230
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(cc1)N=Nc1ccccc1C(=O)[O-])C.CN(c1ccc(cc1)N=Nc1ccccc1C(=O)[O-])C.CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)[O-])O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(cc1)N=Nc1ccccc1C(=O)[O-])C.CN(c1ccc(cc1)N=Nc1ccccc1C(=O)[O-])C.CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)[O-])O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__