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Home > Nitro Compounds > 813424-06-5
813424-06-5 | 2(3H)-Benzothiazolone,3-methyl-5-nitro-(9CI)
CAS No: 813424-06-5 Catalog No: AG00GQTW MDL No:
Product Description
Catalog Number:
AG00GQTW
Chemical Name:
2(3H)-Benzothiazolone,3-methyl-5-nitro-(9CI)
CAS Number:
813424-06-5
IUPAC Name:
3-methyl-5-nitro-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H6N2O3S/c1-9-6-4-5(10(12)13)2-3-7(6)14-8(9)11/h2-4H,1H3
InChI Key:
OUMDRCNQXVDBNU-UHFFFAOYSA-N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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