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2942-10-1 | Benzothiazole, 6-chloro-
CAS No: 2942-10-1 Catalog No: AG002YBZ MDL No:MFCD01325561
Product Description
Catalog Number:
AG002YBZ
Chemical Name:
Benzothiazole, 6-chloro-
CAS Number:
2942-10-1
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD01325561
IUPAC Name:
6-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H4ClNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChI Key:
AIBQGOMAISTKSR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)scn2
NSC Number:
522957
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:
2.6
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