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127589-63-3 | Propanoic acid, 3-chloro-2,2,3,3-tetrafluoro-, methyl ester
CAS No: 127589-63-3 Catalog No: AG000X6J MDL No:MFCD00155715
Product Description
Catalog Number:
AG000X6J
Chemical Name:
Propanoic acid, 3-chloro-2,2,3,3-tetrafluoro-, methyl ester
CAS Number:
127589-63-3
Molecular Formula:
C4H3ClF4O2
Molecular Weight:
194.5120
MDL Number:
MFCD00155715
IUPAC Name:
methyl 3-chloro-2,2,3,3-tetrafluoropropanoate
InChI:
InChI=1S/C4H3ClF4O2/c1-11-2(10)3(6,7)4(5,8)9/h1H3
InChI Key:
YHMRYDXPCZSESQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(Cl)(F)F)(F)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.51g/mol
Monoisotopic Mass:
193.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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