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1190320-49-0 | Benzothiazole, 6-chloro-4-methyl-
CAS No: 1190320-49-0 Catalog No: AG000HXI MDL No:
Product Description
Catalog Number:
AG000HXI
Chemical Name:
Benzothiazole, 6-chloro-4-methyl-
CAS Number:
1190320-49-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
IUPAC Name:
6-chloro-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3
InChI Key:
LTFDAHJAYKVQPQ-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c2c(c1)scn2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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