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886496-65-7 | 6-Bromo-7-nitro-3H-isobenzofuran-1-one
CAS No: 886496-65-7 Catalog No: AG01EYBN MDL No:
Product Description
Catalog Number:
AG01EYBN
Chemical Name:
6-Bromo-7-nitro-3H-isobenzofuran-1-one
CAS Number:
886496-65-7
Molecular Formula:
C8H4BrNO4
Molecular Weight:
258.0257
IUPAC Name:
6-bromo-7-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H4BrNO4/c9-5-2-1-4-3-14-8(11)6(4)7(5)10(12)13/h1-2H,3H2
InChI Key:
WUJKOLOFHMAPPV-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c([N+](=O)[O-])c(cc2)Br
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.027g/mol
Monoisotopic Mass:
256.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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