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30335-67-2 | Benzofuran, 5-bromo-2-nitro-
CAS No: 30335-67-2 Catalog No: AG002ZSG MDL No:
Product Description
Catalog Number:
AG002ZSG
Chemical Name:
Benzofuran, 5-bromo-2-nitro-
CAS Number:
30335-67-2
Molecular Formula:
C8H4BrNO3
Molecular Weight:
242.0263
IUPAC Name:
5-bromo-2-nitro-1-benzofuran
InChI:
InChI=1S/C8H4BrNO3/c9-6-1-2-7-5(3-6)4-8(13-7)10(11)12/h1-4H
InChI Key:
DGDCGRHRZISVAR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)[N+](=O)[O-]
NSC Number:
170705
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.028g/mol
Monoisotopic Mass:
240.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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