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Home > Fluorides > 145646-63-5
145646-63-5 | Benzene, [(2,2-difluoro-1-methylethenyl)thio]-
CAS No: 145646-63-5 Catalog No: AG001D8P MDL No:
Product Description
Catalog Number:
AG001D8P
Chemical Name:
Benzene, [(2,2-difluoro-1-methylethenyl)thio]-
CAS Number:
145646-63-5
Molecular Formula:
C9H8F2S
Molecular Weight:
186.2216
IUPAC Name:
1,1-difluoroprop-1-en-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H8F2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
NZHJMEJQZXCIHV-UHFFFAOYSA-N
SMILES:
CC(=C(F)F)Sc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.22g/mol
Monoisotopic Mass:
186.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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