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13027-24-2 | Propanoyl chloride, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-
CAS No: 13027-24-2 Catalog No: AG000U7O MDL No:
Product Description
Catalog Number:
AG000U7O
Chemical Name:
Propanoyl chloride, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-
CAS Number:
13027-24-2
Molecular Formula:
C5H3ClF6O
Molecular Weight:
228.5201
IUPAC Name:
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl chloride
InChI:
InChI=1S/C5H3ClF6O/c1-3(2(6)13,4(7,8)9)5(10,11)12/h1H3
InChI Key:
SBPOECSUFWPZFS-UHFFFAOYSA-N
SMILES:
ClC(=O)C(C(F)(F)F)(C(F)(F)F)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.978g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.518g/mol
Monoisotopic Mass:
227.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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