Home Halogens 4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride

4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride

CAS No.:
1989659-10-0
Catalog Number:
AG01B63F
Molecular Formula:
C8H8Cl2F3NS
Molecular Weight:
278.1220
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Product Description
Catalog Number:
AG01B63F
Chemical Name:
4-chloro-2-(methylsulfanyl)-5-(trifluoromethyl)aniline hydrochloride
CAS Number:
1989659-10-0
Molecular Formula:
C8H8Cl2F3NS
Molecular Weight:
278.1220
MDL Number:
MFCD30342781
IUPAC Name:
4-chloro-2-methylsulfanyl-5-(trifluoromethyl)aniline;hydrochloride
InChI:
InChI=1S/C8H7ClF3NS.ClH/c1-14-7-3-5(9)4(2-6(7)13)8(10,11)12;/h2-3H,13H2,1H3;1H
InChI Key:
XZHCSAGSQMZWLQ-UHFFFAOYSA-N
SMILES:
CSc1cc(Cl)c(cc1N)C(F)(F)F.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.971g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.114g/mol
Monoisotopic Mass:
276.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties