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1190316-34-7

1190316-34-7 | Benzothiazole, 5-chloro-4-methyl-

CAS No: 1190316-34-7 Catalog No: AG000HP2 MDL No:

Product Description

Catalog Number:
AG000HP2
Chemical Name:
Benzothiazole, 5-chloro-4-methyl-
CAS Number:
1190316-34-7
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
IUPAC Name:
5-chloro-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS/c1-5-6(9)2-3-7-8(5)10-4-11-7/h2-4H,1H3
InChI Key:
UVZYWOVXRLXZGX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1C)ncs2

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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