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Home > Fluorides > 132896-18-5
132896-18-5 | Benzo[b]thiophene, 5-(trifluoromethyl)-
CAS No: 132896-18-5 Catalog No: AG0011CN MDL No:MFCD02913601
Product Description
Catalog Number:
AG0011CN
Chemical Name:
Benzo[b]thiophene, 5-(trifluoromethyl)-
CAS Number:
132896-18-5
Molecular Formula:
C9H5F3S
Molecular Weight:
202.1962
MDL Number:
MFCD02913601
IUPAC Name:
5-(trifluoromethyl)-1-benzothiophene
InChI:
InChI=1S/C9H5F3S/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5H
InChI Key:
VXLMZARIOJWWCJ-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)ccs2)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.194g/mol
Monoisotopic Mass:
202.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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