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1260851-30-6 | Benzene, 4-(2-chloroethyl)-1-fluoro-2-(trifluoromethyl)-
CAS No: 1260851-30-6 Catalog No: AG000RGF MDL No:
Product Description
Catalog Number:
AG000RGF
Chemical Name:
Benzene, 4-(2-chloroethyl)-1-fluoro-2-(trifluoromethyl)-
CAS Number:
1260851-30-6
Molecular Formula:
C9H7ClF4
Molecular Weight:
226.5985
IUPAC Name:
4-(2-chloroethyl)-1-fluoro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H7ClF4/c10-4-3-6-1-2-8(11)7(5-6)9(12,13)14/h1-2,5H,3-4H2
InChI Key:
PQUONCXNVDNOGU-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.599g/mol
Monoisotopic Mass:
226.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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