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Home > Nitro Compounds > 164915-57-5
164915-57-5 | 3(2H)-Benzofuranone, 7-nitro-
CAS No: 164915-57-5 Catalog No: AG001V55 MDL No:
Product Description
Catalog Number:
AG001V55
Chemical Name:
3(2H)-Benzofuranone, 7-nitro-
CAS Number:
164915-57-5
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
IUPAC Name:
7-nitro-1-benzofuran-3-one
InChI:
InChI=1S/C8H5NO4/c10-7-4-13-8-5(7)2-1-3-6(8)9(11)12/h1-3H,4H2
InChI Key:
JXPZMKPGHINWQC-UHFFFAOYSA-N
SMILES:
O=C1COc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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