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1308676-79-0 | 5-Benzothiazolecarbonyl chloride
CAS No: 1308676-79-0 Catalog No: AG000V1C MDL No:
Product Description
Catalog Number:
AG000V1C
Chemical Name:
5-Benzothiazolecarbonyl chloride
CAS Number:
1308676-79-0
Molecular Formula:
C8H4ClNOS
Molecular Weight:
197.6415
IUPAC Name:
1,3-benzothiazole-5-carbonyl chloride
InChI:
InChI=1S/C8H4ClNOS/c9-8(11)5-1-2-7-6(3-5)10-4-12-7/h1-4H
InChI Key:
CSUZHMHFKFDXPY-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)ncs2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.636g/mol
Monoisotopic Mass:
196.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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