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13634-89-4 | Benzenethiol, 2,3,5,6-tetrafluoro-4-methyl-
CAS No: 13634-89-4 Catalog No: AG0011RR MDL No:
Product Description
Catalog Number:
AG0011RR
Chemical Name:
Benzenethiol, 2,3,5,6-tetrafluoro-4-methyl-
CAS Number:
13634-89-4
Molecular Formula:
C7H4F4S
Molecular Weight:
196.1653
IUPAC Name:
2,3,5,6-tetrafluoro-4-methylbenzenethiol
InChI:
InChI=1S/C7H4F4S/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
InChI Key:
IXNACCOMSPFJNH-UHFFFAOYSA-N
SMILES:
Cc1c(F)c(F)c(c(c1F)F)S
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.163g/mol
Monoisotopic Mass:
195.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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