AF87945
313366-70-0 | 2-Cyano-4-(4-cyanophenyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AF87945
ChemicalName
2-Cyano-4-(4-cyanophenyl)phenol
CasNumber
313366-70-0
MolecularFormula
C14H8N2O
MolecularWeight
220.2261
MdlNumber
MFCD00982586
Smiles
N#Cc1ccc(cc1)c1ccc(c(c1)C#N)O
Complexity
353
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AF87945
ChemicalName: 2-Cyano-4-(4-cyanophenyl)phenol
CasNumber: 313366-70-0
MolecularFormula: C14H8N2O
MolecularWeight: 220.2261
MdlNumber: MFCD00982586
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C#N)O
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AF87945
ChemicalName:
2-Cyano-4-(4-cyanophenyl)phenol
CasNumber:
313366-70-0
MolecularFormula:
C14H8N2O
MolecularWeight:
220.2261
MdlNumber:
MFCD00982586
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C#N)O
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AF87946
ChemicalName: N-(4-cyano-2-fluorophenyl)methanesulfonamide
CasNumber: 401909-16-8
MolecularFormula: C8H7FN2O2S
MolecularWeight: 214.2168
MdlNumber: MFCD12913499
Smiles: N#Cc1ccc(c(c1)F)NS(=O)(=O)C
Complexity: 340
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AF87946
ChemicalName:
N-(4-cyano-2-fluorophenyl)methanesulfonamide
CasNumber:
401909-16-8
MolecularFormula:
C8H7FN2O2S
MolecularWeight:
214.2168
MdlNumber:
MFCD12913499
Smiles:
N#Cc1ccc(c(c1)F)NS(=O)(=O)C
Complexity:
340
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AF87947
ChemicalName: 5-(4-Cyanophenyl)-2-methoxybenzonitrile
CasNumber: 313366-69-7
MolecularFormula: C15H10N2O
MolecularWeight: 234.2527
MdlNumber: MFCD00982585
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AF87947
ChemicalName:
5-(4-Cyanophenyl)-2-methoxybenzonitrile
CasNumber:
313366-69-7
MolecularFormula:
C15H10N2O
MolecularWeight:
234.2527
MdlNumber:
MFCD00982585
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AF87948
ChemicalName: Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CasNumber: 318471-58-8
MolecularFormula: C13H14FNO6
MolecularWeight: 299.2518
MdlNumber: MFCD26940384
Smiles: CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AF87948
ChemicalName:
Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CasNumber:
318471-58-8
MolecularFormula:
C13H14FNO6
MolecularWeight:
299.2518
MdlNumber:
MFCD26940384
Smiles:
CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
2.5