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1349716-86-4 | 2,4-Dichloro-3-trifluoromethylbenzenethiol
CAS No: 1349716-86-4 Catalog No: AG01FB8J MDL No:MFCD20233360
Product Description
Catalog Number:
AG01FB8J
Chemical Name:
2,4-Dichloro-3-trifluoromethylbenzenethiol
CAS Number:
1349716-86-4
Molecular Formula:
C7H3Cl2F3S
Molecular Weight:
247.0649
MDL Number:
MFCD20233360
IUPAC Name:
2,4-dichloro-3-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H3Cl2F3S/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2,13H
InChI Key:
DPIYZYYIOAEOOJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1C(F)(F)F)Cl)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.928g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.056g/mol
Monoisotopic Mass:
245.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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