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80689-35-6 | 2-Chloro-4,6-dimethylbenzo[d]thiazole
CAS No: 80689-35-6 Catalog No: AG005JXK MDL No:MFCD04971829
Product Description
Catalog Number:
AG005JXK
Chemical Name:
2-Chloro-4,6-dimethylbenzo[d]thiazole
CAS Number:
80689-35-6
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
MDL Number:
MFCD04971829
IUPAC Name:
2-chloro-4,6-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H8ClNS/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h3-4H,1-2H3
InChI Key:
DGUINEVXAOBICO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)sc(n2)Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.68g/mol
Monoisotopic Mass:
197.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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