AF87746
39887-56-4 | 3-nitro-N-propylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AF87746
ChemicalName
3-nitro-N-propylbenzamide
CasNumber
39887-56-4
MolecularFormula
C10H12N2O3
MolecularWeight
208.2139
MdlNumber
MFCD00779667
Smiles
CCCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AF87746
ChemicalName: 3-nitro-N-propylbenzamide
CasNumber: 39887-56-4
MolecularFormula: C10H12N2O3
MolecularWeight: 208.2139
MdlNumber: MFCD00779667
Smiles: CCCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AF87746
ChemicalName:
3-nitro-N-propylbenzamide
CasNumber:
39887-56-4
MolecularFormula:
C10H12N2O3
MolecularWeight:
208.2139
MdlNumber:
MFCD00779667
Smiles:
CCCNC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
275
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: AF87748
ChemicalName: 3-Amino-4-(isopropylamino)benzonitrile
CasNumber: 355022-20-7
MolecularFormula: C10H13N3
MolecularWeight: 175.2303
MdlNumber: MFCD09031713
Smiles: N#Cc1ccc(c(c1)N)NC(C)C
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AF87748
ChemicalName:
3-Amino-4-(isopropylamino)benzonitrile
CasNumber:
355022-20-7
MolecularFormula:
C10H13N3
MolecularWeight:
175.2303
MdlNumber:
MFCD09031713
Smiles:
N#Cc1ccc(c(c1)N)NC(C)C
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1cnc2c1ccc(c2)C(=O)O
Complexity: 245
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1cnc2c1ccc(c2)C(=O)O
Complexity:
245
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8