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100482-55-1 | 2-Thiophenemethanol, α-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
CAS No: 100482-55-1 Catalog No: AG00023W MDL No:
Product Description
Catalog Number:
AG00023W
Chemical Name:
2-Thiophenemethanol, α-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
CAS Number:
100482-55-1
Molecular Formula:
C9H6F6OS
Molecular Weight:
276.1988
IUPAC Name:
4,4,4-trifluoro-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-ol
InChI:
InChI=1S/C9H6F6OS/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-5,16H
InChI Key:
DTHGYDUZALFGDB-UHFFFAOYSA-N
SMILES:
OC(c1cccs1)C=C(C(F)(F)F)C(F)(F)F
NSC Number:
162138
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.196g/mol
Monoisotopic Mass:
276.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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