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540493-14-9 | 6-Nitrobenzo[d]isothiazole
CAS No: 540493-14-9 Catalog No: AG01EE4R MDL No:
Product Description
Catalog Number:
AG01EE4R
Chemical Name:
6-Nitrobenzo[d]isothiazole
CAS Number:
540493-14-9
IUPAC Name:
6-nitro-1,2-benzothiazole
InChI:
InChI=1S/C7H4N2O2S/c10-9(11)6-2-1-5-4-8-12-7(5)3-6/h1-4H
InChI Key:
YKRIUVHLVYECIH-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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