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615-20-3 | 2-Chlorobenzothiazole
CAS No: 615-20-3 Catalog No: AG003377 MDL No:MFCD00005776
Product Description
Catalog Number:
AG003377
Chemical Name:
2-Chlorobenzothiazole
CAS Number:
615-20-3
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD00005776
IUPAC Name:
2-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:
BSQLQMLFTHJVKS-UHFFFAOYSA-N
SMILES:
Clc1nc2c(s1)cccc2
EC Number:
210-415-0
UNII:
FN1T1Y0P5P
NSC Number:
8442
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.626g/mol
Monoisotopic Mass:
168.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 1,3-Benzothia-zole-2(3H)-selone. | Acta crystallographica. Section E, Structure reports online 20111101 |
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