AA49033
1365272-12-3 | 4-(3,5-Difluorophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA49033
ChemicalName
4-(3,5-Difluorophenyl)benzonitrile
CasNumber
1365272-12-3
MolecularFormula
C13H7F2N
MolecularWeight
215.1982
MdlNumber
MFCD21609630
Smiles
N#Cc1ccc(cc1)c1cc(F)cc(c1)F
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AA49033
ChemicalName: 4-(3,5-Difluorophenyl)benzonitrile
CasNumber: 1365272-12-3
MolecularFormula: C13H7F2N
MolecularWeight: 215.1982
MdlNumber: MFCD21609630
Smiles: N#Cc1ccc(cc1)c1cc(F)cc(c1)F
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AA49033
ChemicalName:
4-(3,5-Difluorophenyl)benzonitrile
CasNumber:
1365272-12-3
MolecularFormula:
C13H7F2N
MolecularWeight:
215.1982
MdlNumber:
MFCD21609630
Smiles:
N#Cc1ccc(cc1)c1cc(F)cc(c1)F
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AA49034
ChemicalName: 3-Bromo-6,8-dihydro-1,6-naphthyridine-5,7-dione
CasNumber: 1365272-11-2
MolecularFormula: C8H5BrN2O2
MolecularWeight: 241.0415
MdlNumber: MFCD21609706
Smiles: O=C1NC(=O)c2c(C1)ncc(c2)Br
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
AA49034
ChemicalName:
3-Bromo-6,8-dihydro-1,6-naphthyridine-5,7-dione
CasNumber:
1365272-11-2
MolecularFormula:
C8H5BrN2O2
MolecularWeight:
241.0415
MdlNumber:
MFCD21609706
Smiles:
O=C1NC(=O)c2c(C1)ncc(c2)Br
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: AA49035
ChemicalName: 3-(2-Chloro-5-methylphenyl)benzonitrile
CasNumber: 1365272-10-1
MolecularFormula: C14H10ClN
MolecularWeight: 227.6889
MdlNumber: MFCD21609623
Smiles: N#Cc1cccc(c1)c1cc(C)ccc1Cl
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.5
CatalogNumber:
AA49035
ChemicalName:
3-(2-Chloro-5-methylphenyl)benzonitrile
CasNumber:
1365272-10-1
MolecularFormula:
C14H10ClN
MolecularWeight:
227.6889
MdlNumber:
MFCD21609623
Smiles:
N#Cc1cccc(c1)c1cc(C)ccc1Cl
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1cccc(c1)c1ccccc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cccc(c1)c1ccccc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__