AA49089
1365272-68-9 | 3-(4-Cyanophenyl)-N,N-dimethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA49089
ChemicalName
3-(4-Cyanophenyl)-N,N-dimethylbenzamide
CasNumber
1365272-68-9
MolecularFormula
C16H14N2O
MolecularWeight
250.2952
MdlNumber
MFCD21609647
Smiles
N#Cc1ccc(cc1)c1cccc(c1)C(=O)N(C)C
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA49089
ChemicalName: 3-(4-Cyanophenyl)-N,N-dimethylbenzamide
CasNumber: 1365272-68-9
MolecularFormula: C16H14N2O
MolecularWeight: 250.2952
MdlNumber: MFCD21609647
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(=O)N(C)C
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA49089
ChemicalName:
3-(4-Cyanophenyl)-N,N-dimethylbenzamide
CasNumber:
1365272-68-9
MolecularFormula:
C16H14N2O
MolecularWeight:
250.2952
MdlNumber:
MFCD21609647
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(=O)N(C)C
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AA49090
ChemicalName: Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
CasNumber: 1365272-67-8
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609639
Smiles: COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49090
ChemicalName:
Methyl 4-(3-cyanophenyl)-2-fluorobenzoate
CasNumber:
1365272-67-8
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609639
Smiles:
COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49091
ChemicalName: 3-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber: 1365272-66-7
MolecularFormula: C13H7ClFN
MolecularWeight: 231.6528
MdlNumber: MFCD21609626
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)Cl)F
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AA49091
ChemicalName:
3-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber:
1365272-66-7
MolecularFormula:
C13H7ClFN
MolecularWeight:
231.6528
MdlNumber:
MFCD21609626
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)F
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: AA49092
ChemicalName: Ethyl 2-fluoro-4-(4-nitrophenyl)benzoate
CasNumber: 1365272-65-6
MolecularFormula: C15H12FNO4
MolecularWeight: 289.2585
MdlNumber: MFCD21609610
Smiles: CCOC(=O)c1ccc(cc1F)c1ccc(cc1)[N+](=O)[O-]
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AA49092
ChemicalName:
Ethyl 2-fluoro-4-(4-nitrophenyl)benzoate
CasNumber:
1365272-65-6
MolecularFormula:
C15H12FNO4
MolecularWeight:
289.2585
MdlNumber:
MFCD21609610
Smiles:
CCOC(=O)c1ccc(cc1F)c1ccc(cc1)[N+](=O)[O-]
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.7