AA88425
16588-23-1 | 3-Nitro-4-(phenylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA88425
ChemicalName
3-Nitro-4-(phenylamino)benzonitrile
CasNumber
16588-23-1
MolecularFormula
C13H9N3O2
MolecularWeight
239.2295
MdlNumber
MFCD00768956
Smiles
N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA88425
ChemicalName: 3-Nitro-4-(phenylamino)benzonitrile
CasNumber: 16588-23-1
MolecularFormula: C13H9N3O2
MolecularWeight: 239.2295
MdlNumber: MFCD00768956
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA88425
ChemicalName:
3-Nitro-4-(phenylamino)benzonitrile
CasNumber:
16588-23-1
MolecularFormula:
C13H9N3O2
MolecularWeight:
239.2295
MdlNumber:
MFCD00768956
Smiles:
N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AA88426
ChemicalName: Ethyl 2-chloro-5-nitrobenzoate
CasNumber: 16588-17-3
MolecularFormula: C9H8ClNO4
MolecularWeight: 229.6171
MdlNumber: MFCD00115803
Smiles: [O-][N+](=O)c1cc(C(=O)OCC)c(cc1)Cl
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA88426
ChemicalName:
Ethyl 2-chloro-5-nitrobenzoate
CasNumber:
16588-17-3
MolecularFormula:
C9H8ClNO4
MolecularWeight:
229.6171
MdlNumber:
MFCD00115803
Smiles:
[O-][N+](=O)c1cc(C(=O)OCC)c(cc1)Cl
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity: 253
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity:
253
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)C(=O)N)Cl
Complexity: 228
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(=O)N)Cl
Complexity:
228
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4