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122246-98-4 | Benzene, 1-chloro-2-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-
CAS No: 122246-98-4 Catalog No: AG001704 MDL No:
Product Description
Catalog Number:
AG001704
Chemical Name:
Benzene, 1-chloro-2-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-
CAS Number:
122246-98-4
Molecular Formula:
C9H5Cl2F3
Molecular Weight:
241.0372
IUPAC Name:
1-chloro-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene
InChI:
InChI=1S/C9H5Cl2F3/c10-7-4-2-1-3-6(7)5-8(11)9(12,13)14/h1-5H
InChI Key:
VRGINYQNPZQUMV-UHFFFAOYSA-N
SMILES:
ClC(=Cc1ccccc1Cl)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.034g/mol
Monoisotopic Mass:
239.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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