AF87765
42289-52-1 | 4-(2-Cyanophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF87765
ChemicalName
4-(2-Cyanophenyl)benzonitrile
CasNumber
42289-52-1
MolecularFormula
C14H8N2
MolecularWeight
204.2267
MdlNumber
MFCD05980346
Smiles
N#Cc1ccc(cc1)c1ccccc1C#N
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AF87765
ChemicalName: 4-(2-Cyanophenyl)benzonitrile
CasNumber: 42289-52-1
MolecularFormula: C14H8N2
MolecularWeight: 204.2267
MdlNumber: MFCD05980346
Smiles: N#Cc1ccc(cc1)c1ccccc1C#N
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AF87765
ChemicalName:
4-(2-Cyanophenyl)benzonitrile
CasNumber:
42289-52-1
MolecularFormula:
C14H8N2
MolecularWeight:
204.2267
MdlNumber:
MFCD05980346
Smiles:
N#Cc1ccc(cc1)c1ccccc1C#N
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: AF87766
ChemicalName: 1,3-Dimethyl-2,4-dioxopyrimidine-5-carbohydrazide
CasNumber: 39513-55-8
MolecularFormula: C7H10N4O3
MolecularWeight: 198.1793
MdlNumber: MFCD11934280
Smiles: NNC(=O)c1cn(C)c(=O)n(c1=O)C
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: -1.3
CatalogNumber:
AF87766
ChemicalName:
1,3-Dimethyl-2,4-dioxopyrimidine-5-carbohydrazide
CasNumber:
39513-55-8
MolecularFormula:
C7H10N4O3
MolecularWeight:
198.1793
MdlNumber:
MFCD11934280
Smiles:
NNC(=O)c1cn(C)c(=O)n(c1=O)C
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
-1.3
CatalogNumber: AF87767
ChemicalName: 2-Bromo-4-fluoro-5-nitroaniline
CasNumber: 346433-97-4
MolecularFormula: C6H4BrFN2O2
MolecularWeight: 235.0106
MdlNumber: MFCD19237158
Smiles: [O-][N+](=O)c1cc(N)c(cc1F)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AF87767
ChemicalName:
2-Bromo-4-fluoro-5-nitroaniline
CasNumber:
346433-97-4
MolecularFormula:
C6H4BrFN2O2
MolecularWeight:
235.0106
MdlNumber:
MFCD19237158
Smiles:
[O-][N+](=O)c1cc(N)c(cc1F)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AF87768
ChemicalName: 2-Methoxy-4-phenylphenol
CasNumber: 37055-79-1
MolecularFormula: C13H12O2
MolecularWeight: 200.2332
MdlNumber: MFCD18314937
Smiles: COc1cc(ccc1O)c1ccccc1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF87768
ChemicalName:
2-Methoxy-4-phenylphenol
CasNumber:
37055-79-1
MolecularFormula:
C13H12O2
MolecularWeight:
200.2332
MdlNumber:
MFCD18314937
Smiles:
COc1cc(ccc1O)c1ccccc1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5