AA52795
1214352-57-4 | 3-Fluoro-5-phenylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA52795
ChemicalName
3-Fluoro-5-phenylbenzonitrile
CasNumber
1214352-57-4
MolecularFormula
C13H8FN
MolecularWeight
197.2077
MdlNumber
MFCD14701726
Smiles
N#Cc1cc(F)cc(c1)c1ccccc1
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.4
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CatalogNumber: AA52795
ChemicalName: 3-Fluoro-5-phenylbenzonitrile
CasNumber: 1214352-57-4
MolecularFormula: C13H8FN
MolecularWeight: 197.2077
MdlNumber: MFCD14701726
Smiles: N#Cc1cc(F)cc(c1)c1ccccc1
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AA52795
ChemicalName:
3-Fluoro-5-phenylbenzonitrile
CasNumber:
1214352-57-4
MolecularFormula:
C13H8FN
MolecularWeight:
197.2077
MdlNumber:
MFCD14701726
Smiles:
N#Cc1cc(F)cc(c1)c1ccccc1
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(cc(c1)C(=O)O)c1cccc(c1)F
Complexity: 283
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(cc(c1)C(=O)O)c1cccc(c1)F
Complexity:
283
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1F)C(=O)O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1F)C(=O)O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA52798
ChemicalName: 3-Bromo-2-(trifluoromethyl)phenol
CasNumber: 1214352-26-7
MolecularFormula: C7H4BrF3O
MolecularWeight: 241.0053
MdlNumber: MFCD13194489
Smiles: Oc1cccc(c1C(F)(F)F)Br
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AA52798
ChemicalName:
3-Bromo-2-(trifluoromethyl)phenol
CasNumber:
1214352-26-7
MolecularFormula:
C7H4BrF3O
MolecularWeight:
241.0053
MdlNumber:
MFCD13194489
Smiles:
Oc1cccc(c1C(F)(F)F)Br
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
3.1