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80945-84-2 | 2-Chloro-4,7-dimethylbenzo[d]thiazole
CAS No: 80945-84-2 Catalog No: AG005HV4 MDL No:MFCD04971830
Product Description
Catalog Number:
AG005HV4
Chemical Name:
2-Chloro-4,7-dimethylbenzo[d]thiazole
CAS Number:
80945-84-2
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
MDL Number:
MFCD04971830
IUPAC Name:
2-chloro-4,7-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H8ClNS/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3
InChI Key:
DIJHKAKLKUEUSL-UHFFFAOYSA-N
SMILES:
Clc1nc2c(s1)c(C)ccc2C
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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