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680212-80-0 | 3-chloro-5-(2-chlorophenyl)isothiazole-4-carboxamide
CAS No: 680212-80-0 Catalog No: AG01DE43 MDL No:MFCD00110610
Product Description
Catalog Number:
AG01DE43
Chemical Name:
3-chloro-5-(2-chlorophenyl)isothiazole-4-carboxamide
CAS Number:
680212-80-0
Molecular Formula:
C10H6Cl2N2OS
Molecular Weight:
273.1384
MDL Number:
MFCD00110610
IUPAC Name:
3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C10H6Cl2N2OS/c11-6-4-2-1-3-5(6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChI Key:
RGXKSKQYJODGLK-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1snc(c1C(=O)N)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.131g/mol
Monoisotopic Mass:
271.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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