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88326-79-8 | Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, trifluoromethyl ester
CAS No: 88326-79-8 Catalog No: AG0047LE MDL No:
Product Description
Catalog Number:
AG0047LE
Chemical Name:
Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, trifluoromethyl ester
CAS Number:
88326-79-8
Molecular Formula:
C3HF6NOS
Molecular Weight:
213.1016
IUPAC Name:
trifluoromethyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
InChI:
InChI=1S/C3HF6NOS/c4-2(5,6)1(10-11)12-3(7,8)9/h11H
InChI Key:
QPEGHUCEQJEJHX-UHFFFAOYSA-N
SMILES:
ON=C(C(F)(F)F)SC(F)(F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.968g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.097g/mol
Monoisotopic Mass:
212.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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