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Home > Nitro Compounds > 832713-77-6
832713-77-6 | 6-Benzothiazolol, 2-methyl-5-nitro-
CAS No: 832713-77-6 Catalog No: AG004TUA MDL No:
Product Description
Catalog Number:
AG004TUA
Chemical Name:
6-Benzothiazolol, 2-methyl-5-nitro-
CAS Number:
832713-77-6
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
IUPAC Name:
2-methyl-5-nitro-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C8H6N2O3S/c1-4-9-5-2-6(10(12)13)7(11)3-8(5)14-4/h2-3,11H,1H3
InChI Key:
DBLFCBGFWMDGEV-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(c(c2)O)[N+](=O)[O-]
Properties
Complexity:
245
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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