AC54566
70001-47-7 | N-Butyl-3-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AC54566
ChemicalName
N-Butyl-3-nitrobenzamide
CasNumber
70001-47-7
MolecularFormula
C11H14N2O3
MolecularWeight
222.2405
MdlNumber
MFCD00458983
Smiles
CCCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber
406579
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AC54566
ChemicalName: N-Butyl-3-nitrobenzamide
CasNumber: 70001-47-7
MolecularFormula: C11H14N2O3
MolecularWeight: 222.2405
MdlNumber: MFCD00458983
Smiles: CCCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber: 406579
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AC54566
ChemicalName:
N-Butyl-3-nitrobenzamide
CasNumber:
70001-47-7
MolecularFormula:
C11H14N2O3
MolecularWeight:
222.2405
MdlNumber:
MFCD00458983
Smiles:
CCCCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber:
406579
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AC54570
ChemicalName: 4,7-Dichlorothieno[2,3-d]pyridazine
CasNumber: 699-89-8
MolecularFormula: C6H2Cl2N2S
MolecularWeight: 205.0645
MdlNumber: MFCD00117955
Smiles: Clc1nnc(c2c1scc2)Cl
NscNumber: __
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AC54570
ChemicalName:
4,7-Dichlorothieno[2,3-d]pyridazine
CasNumber:
699-89-8
MolecularFormula:
C6H2Cl2N2S
MolecularWeight:
205.0645
MdlNumber:
MFCD00117955
Smiles:
Clc1nnc(c2c1scc2)Cl
NscNumber:
__
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(Oc1ccc(cc1)Cl)(C)C)NC12CC3CC(C2)CC(C1)C3
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(Oc1ccc(cc1)Cl)(C)C)NC12CC3CC(C2)CC(C1)C3
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)Cl)OCCCCCCc1c(CC)[nH]nc1CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)Cl)OCCCCCCc1c(CC)[nH]nc1CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__