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1190322-10-1 | 6-Benzothiazolol, 2-chloro-4-methyl-
CAS No: 1190322-10-1 Catalog No: AG000I1E MDL No:MFCD12962860
Product Description
Catalog Number:
AG000I1E
Chemical Name:
6-Benzothiazolol, 2-chloro-4-methyl-
CAS Number:
1190322-10-1
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
MDL Number:
MFCD12962860
IUPAC Name:
2-chloro-4-methyl-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C8H6ClNOS/c1-4-2-5(11)3-6-7(4)10-8(9)12-6/h2-3,11H,1H3
InChI Key:
UIVSPFZPICNYOP-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c2c(c1)sc(n2)Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.652g/mol
Monoisotopic Mass:
198.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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