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1006-99-1 | Benzothiazole, 5-chloro-2-methyl-
CAS No: 1006-99-1 Catalog No: AG0002GX MDL No:MFCD00022881
Product Description
Catalog Number:
AG0002GX
Chemical Name:
Benzothiazole, 5-chloro-2-methyl-
CAS Number:
1006-99-1
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00022881
IUPAC Name:
5-chloro-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:
XCALAYIRFYALSX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(s2)C
EC Number:
213-746-9
NSC Number:
8453
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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