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Home > Nitro Compounds > 688036-99-9
688036-99-9 | Benzothiazole, 2-(methoxymethyl)-6-nitro- (5CI)
CAS No: 688036-99-9 Catalog No: AG00FJUR MDL No:
Product Description
Catalog Number:
AG00FJUR
Chemical Name:
Benzothiazole, 2-(methoxymethyl)-6-nitro- (5CI)
CAS Number:
688036-99-9
IUPAC Name:
2-(methoxymethyl)-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C9H8N2O3S/c1-14-5-9-10-7-3-2-6(11(12)13)4-8(7)15-9/h2-4H,5H2,1H3
InChI Key:
SDFIMVJIVRSMCL-UHFFFAOYSA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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