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155538-41-3 | 2-Benzothiazolamine, 6-chloro-4-(trifluoromethyl)-
CAS No: 155538-41-3 Catalog No: AG001NYZ MDL No:MFCD11504895
Product Description
Catalog Number:
AG001NYZ
Chemical Name:
2-Benzothiazolamine, 6-chloro-4-(trifluoromethyl)-
CAS Number:
155538-41-3
Molecular Formula:
C8H4ClF3N2S
Molecular Weight:
252.6440
MDL Number:
MFCD11504895
IUPAC Name:
6-chloro-4-(trifluoromethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H4ClF3N2S/c9-3-1-4(8(10,11)12)6-5(2-3)15-7(13)14-6/h1-2H,(H2,13,14)
InChI Key:
DHURNZDLDZXODT-UHFFFAOYSA-N
SMILES:
Clc1cc2sc(nc2c(c1)C(F)(F)F)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.639g/mol
Monoisotopic Mass:
251.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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