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101244-49-9 | Benzeneacetyl chloride, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS No: 101244-49-9 Catalog No: AG00040V MDL No:
Product Description
Catalog Number:
AG00040V
Chemical Name:
Benzeneacetyl chloride, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS Number:
101244-49-9
Molecular Formula:
C15H9Cl2F3O2
Molecular Weight:
349.1320
IUPAC Name:
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]acetyl chloride
InChI:
InChI=1S/C15H9Cl2F3O2/c16-12-8-10(15(18,19)20)4-5-13(12)22-11-3-1-2-9(6-11)7-14(17)21/h1-6,8H,7H2
InChI Key:
OFIGYMXGKMCBHS-UHFFFAOYSA-N
SMILES:
ClC(=O)Cc1cccc(c1)Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.13g/mol
Monoisotopic Mass:
347.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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