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144347-49-9 | 1,3-Benzodioxole-5-carboxamide, 6-bromo-N-hydroxy-
CAS No: 144347-49-9 Catalog No: AG001JDG MDL No:
Product Description
Catalog Number:
AG001JDG
Chemical Name:
1,3-Benzodioxole-5-carboxamide, 6-bromo-N-hydroxy-
CAS Number:
144347-49-9
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
IUPAC Name:
6-bromo-N-hydroxy-1,3-benzodioxole-5-carboxamide
InChI:
InChI=1S/C8H6BrNO4/c9-5-2-7-6(13-3-14-7)1-4(5)8(11)10-12/h1-2,12H,3H2,(H,10,11)
InChI Key:
CKOGYVVDUKXKCG-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cc2OCOc2cc1Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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