AG32809
501427-88-9 | Ethyl 4-(2-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AG32809
ChemicalName
Ethyl 4-(2-cyanophenyl)benzoate
CasNumber
501427-88-9
MolecularFormula
C16H13NO2
MolecularWeight
251.2799
MdlNumber
MFCD21332965
Smiles
CCOC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AG32809
ChemicalName: Ethyl 4-(2-cyanophenyl)benzoate
CasNumber: 501427-88-9
MolecularFormula: C16H13NO2
MolecularWeight: 251.2799
MdlNumber: MFCD21332965
Smiles: CCOC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AG32809
ChemicalName:
Ethyl 4-(2-cyanophenyl)benzoate
CasNumber:
501427-88-9
MolecularFormula:
C16H13NO2
MolecularWeight:
251.2799
MdlNumber:
MFCD21332965
Smiles:
CCOC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AG32810
ChemicalName: 5-Morpholino-2-nitropyridine
CasNumber: 491855-89-1
MolecularFormula: C9H11N3O3
MolecularWeight: 209.2019
MdlNumber: MFCD02224592
Smiles: [O-][N+](=O)c1ccc(cn1)N1CCOCC1
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AG32810
ChemicalName:
5-Morpholino-2-nitropyridine
CasNumber:
491855-89-1
MolecularFormula:
C9H11N3O3
MolecularWeight:
209.2019
MdlNumber:
MFCD02224592
Smiles:
[O-][N+](=O)c1ccc(cn1)N1CCOCC1
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AG32811
ChemicalName: 2-Chloro-4-phenylbenzonitrile
CasNumber: 5435-92-7
MolecularFormula: C13H8ClN
MolecularWeight: 213.6623
MdlNumber: MFCD14701624
Smiles: N#Cc1ccc(cc1Cl)c1ccccc1
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AG32811
ChemicalName:
2-Chloro-4-phenylbenzonitrile
CasNumber:
5435-92-7
MolecularFormula:
C13H8ClN
MolecularWeight:
213.6623
MdlNumber:
MFCD14701624
Smiles:
N#Cc1ccc(cc1Cl)c1ccccc1
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.4
CatalogNumber: AG32812
ChemicalName: 2-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber: 442670-45-3
MolecularFormula: C14H10ClN
MolecularWeight: 227.6889
MdlNumber: MFCD07779319
Smiles: N#Cc1ccccc1c1ccc(c(c1)Cl)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AG32812
ChemicalName:
2-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber:
442670-45-3
MolecularFormula:
C14H10ClN
MolecularWeight:
227.6889
MdlNumber:
MFCD07779319
Smiles:
N#Cc1ccccc1c1ccc(c(c1)Cl)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.3