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85630-83-7 | Acetyl chloride, [3-(trifluoromethyl)phenoxy]-
CAS No: 85630-83-7 Catalog No: AG0050YX MDL No:MFCD12197770
Product Description
Catalog Number:
AG0050YX
Chemical Name:
Acetyl chloride, [3-(trifluoromethyl)phenoxy]-
CAS Number:
85630-83-7
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD12197770
IUPAC Name:
2-[3-(trifluoromethyl)phenoxy]acetyl chloride
InChI:
InChI=1S/C9H6ClF3O2/c10-8(14)5-15-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2
InChI Key:
UWWXHNTUPXGBQX-UHFFFAOYSA-N
SMILES:
ClC(=O)COc1cccc(c1)C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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