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828267-49-8 | Benzene, 1-chloro-2-ethenyl-4-(trifluoromethyl)-
CAS No: 828267-49-8 Catalog No: AG004XL0 MDL No:
Product Description
Catalog Number:
AG004XL0
Chemical Name:
Benzene, 1-chloro-2-ethenyl-4-(trifluoromethyl)-
CAS Number:
828267-49-8
Molecular Formula:
C9H6ClF3
Molecular Weight:
206.5921
IUPAC Name:
1-chloro-2-ethenyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6ClF3/c1-2-6-5-7(9(11,12)13)3-4-8(6)10/h2-5H,1H2
InChI Key:
BMLFZKHZAPQTAE-UHFFFAOYSA-N
SMILES:
C=Cc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.592g/mol
Monoisotopic Mass:
206.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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