Home Halogens 2(3H)-Benzothiazolone,7-chloro-(9CI)

2(3H)-Benzothiazolone,7-chloro-(9CI)

CAS No.:
80416-76-8
Catalog Number:
AG00G50G
Molecular Formula:
C7H4ClNOS
Molecular Weight:
185.6308
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Product Description
Catalog Number:
AG00G50G
Chemical Name:
2(3H)-Benzothiazolone,7-chloro-(9CI)
CAS Number:
80416-76-8
Molecular Formula:
C7H4ClNOS
Molecular Weight:
185.6308
MDL Number:
MFCD09752319
IUPAC Name:
7-chloro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
MLYFRFPTIGFBDU-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)cccc2Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.97g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.625g/mol
Monoisotopic Mass:
184.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties