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Home > Bromides > 1190317-29-3
1190317-29-3 | 6-Benzothiazolol, 2-bromo-4-nitro-
CAS No: 1190317-29-3 Catalog No: AG000HQD MDL No:
Product Description
Catalog Number:
AG000HQD
Chemical Name:
6-Benzothiazolol, 2-bromo-4-nitro-
CAS Number:
1190317-29-3
Molecular Formula:
C7H3BrN2O3S
Molecular Weight:
275.0793
IUPAC Name:
2-bromo-4-nitro-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C7H3BrN2O3S/c8-7-9-6-4(10(12)13)1-3(11)2-5(6)14-7/h1-2,11H
InChI Key:
KPJIHDNOGXNDHA-UHFFFAOYSA-N
SMILES:
Oc1cc2sc(nc2c(c1)[N+](=O)[O-])Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.905g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.076g/mol
Monoisotopic Mass:
273.905g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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