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80222-79-3 | Benzoyl chloride, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS No: 80222-79-3 Catalog No: AG0054CW MDL No:
Product Description
Catalog Number:
AG0054CW
Chemical Name:
Benzoyl chloride, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-
CAS Number:
80222-79-3
Molecular Formula:
C14H6Cl3F3O2
Molecular Weight:
369.5504
IUPAC Name:
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl chloride
InChI:
InChI=1S/C14H6Cl3F3O2/c15-10-3-2-8(6-9(10)13(17)21)22-12-4-1-7(5-11(12)16)14(18,19)20/h1-6H
InChI Key:
QNBLCVPCKSTOGU-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)Cl)Cl)C(F)(F)F
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.939g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.545g/mol
Monoisotopic Mass:
367.939g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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