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2-nitrobenzofuran

CAS No.:
33094-66-5
Catalog Number:
AG00CJ2H
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG00CJ2H
Chemical Name:
2-nitrobenzofuran
CAS Number:
33094-66-5
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD00459786
IUPAC Name:
2-nitro-1-benzofuran
InChI:
InChI=1S/C8H5NO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChI Key:
RSZMTXPFGDUHSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(o1)cccc2
NSC Number:
170697
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties