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2003-14-7 | Benzeneacetyl chloride, 3-(trifluoromethyl)-
CAS No: 2003-14-7 Catalog No: AG002CO8 MDL No:MFCD08458137
Product Description
Catalog Number:
AG002CO8
Chemical Name:
Benzeneacetyl chloride, 3-(trifluoromethyl)-
CAS Number:
2003-14-7
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD08458137
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]acetyl chloride
InChI:
InChI=1S/C9H6ClF3O/c10-8(14)5-6-2-1-3-7(4-6)9(11,12)13/h1-4H,5H2
InChI Key:
FEVJJJQOPGZSIG-UHFFFAOYSA-N
SMILES:
ClC(=O)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.591g/mol
Monoisotopic Mass:
222.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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