sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 5-Nitro-3h-benzofuran-2-one

5-Nitro-3h-benzofuran-2-one

CAS No.:
21997-23-9
Catalog Number:
AG00BI6R
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$123
- +
250mg
97%
In Stock USA
United States
$223
- +
1g
97%
In Stock USA
United States
$700
- +
5g
97%
In Stock USA
United States
$2061
- +
Product Description
Catalog Number:
AG00BI6R
Chemical Name:
5-Nitro-3h-benzofuran-2-one
CAS Number:
21997-23-9
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD18071597
IUPAC Name:
5-nitro-3H-1-benzofuran-2-one
InChI:
InChI=1S/C8H5NO4/c10-8-4-5-3-6(9(11)12)1-2-7(5)13-8/h1-3H,4H2
InChI Key:
OFONKIRKKMJQLZ-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1)cc(cc2)[N+](=O)[O-]
EC Number:
606-887-6
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:
1.2  
Literature
Title Journal
5-Nitro-1-benzofuran-2(3H)-one. Acta crystallographica. Section E, Structure reports online 20120701
Ethyl 2-(2-hy-droxy-5-nitro-phen-yl)acetate. Acta crystallographica. Section E, Structure reports online 20110201
Properties