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13947-94-9 | Benzene, 1-(chlorodifluoromethyl)-4-(trifluoromethyl)-
CAS No: 13947-94-9 Catalog No: AG001B2U MDL No:MFCD03094520
Product Description
Catalog Number:
AG001B2U
Chemical Name:
Benzene, 1-(chlorodifluoromethyl)-4-(trifluoromethyl)-
CAS Number:
13947-94-9
Molecular Formula:
C8H4ClF5
Molecular Weight:
230.5624
MDL Number:
MFCD03094520
IUPAC Name:
1-[chloro(difluoro)methyl]-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4ClF5/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H
InChI Key:
YDRVRFILFNVROV-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C(Cl)(F)F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.562g/mol
Monoisotopic Mass:
229.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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