AF68051
3400-26-8 | N-Methyl-3-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AF68051
ChemicalName
N-Methyl-3-nitrobenzamide
CasNumber
3400-26-8
MolecularFormula
C8H8N2O3
MolecularWeight
180.1607
MdlNumber
MFCD00714941
Smiles
CNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber
7097
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AF68051
ChemicalName: N-Methyl-3-nitrobenzamide
CasNumber: 3400-26-8
MolecularFormula: C8H8N2O3
MolecularWeight: 180.1607
MdlNumber: MFCD00714941
Smiles: CNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber: 7097
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AF68051
ChemicalName:
N-Methyl-3-nitrobenzamide
CasNumber:
3400-26-8
MolecularFormula:
C8H8N2O3
MolecularWeight:
180.1607
MdlNumber:
MFCD00714941
Smiles:
CNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber:
7097
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1ccc2c(c1)ccc(c2)C(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1ccc2c(c1)ccc(c2)C(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CC[C@]1(OC(=O)C2CC2)Cc2ccccc2C[C@H]1C(C)C)CCCc1nc2c([nH]1)cc(cc2)F.Cl.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CC[C@]1(OC(=O)C2CC2)Cc2ccccc2C[C@H]1C(C)C)CCCc1nc2c([nH]1)cc(cc2)F.Cl.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 582
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
582
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.1