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79676-60-1 | Benzoyl chloride,2-[(difluoromethyl)thio]-
CAS No: 79676-60-1 Catalog No: AG0050XF MDL No:
Product Description
Catalog Number:
AG0050XF
Chemical Name:
Benzoyl chloride,2-[(difluoromethyl)thio]-
CAS Number:
79676-60-1
Molecular Formula:
C8H5ClF2OS
Molecular Weight:
222.6395
IUPAC Name:
2-(difluoromethylsulfanyl)benzoyl chloride
InChI:
InChI=1S/C8H5ClF2OS/c9-7(12)5-3-1-2-4-6(5)13-8(10)11/h1-4,8H
InChI Key:
NIDOHIKAMXAESY-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1C(=O)Cl)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.634g/mol
Monoisotopic Mass:
221.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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