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1190317-71-5 | 6-Benzothiazolol, 2-chloro-4-nitro-
CAS No: 1190317-71-5 Catalog No: AG000HR4 MDL No:
Product Description
Catalog Number:
AG000HR4
Chemical Name:
6-Benzothiazolol, 2-chloro-4-nitro-
CAS Number:
1190317-71-5
Molecular Formula:
C7H3ClN2O3S
Molecular Weight:
230.6283
IUPAC Name:
2-chloro-4-nitro-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C7H3ClN2O3S/c8-7-9-6-4(10(12)13)1-3(11)2-5(6)14-7/h1-2,11H
InChI Key:
OTJNUCKQAHQZPK-UHFFFAOYSA-N
SMILES:
Oc1cc2sc(nc2c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.622g/mol
Monoisotopic Mass:
229.955g/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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