Home Carboxys 7-nitrobenzofuran-2-carboxylic acid

7-nitrobenzofuran-2-carboxylic acid

CAS No.:
90483-98-0
Catalog Number:
AG01DJFI
Molecular Formula:
C9H5NO5
Molecular Weight:
207.1397
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Product Description
Catalog Number:
AG01DJFI
Chemical Name:
7-nitrobenzofuran-2-carboxylic acid
CAS Number:
90483-98-0
Molecular Formula:
C9H5NO5
Molecular Weight:
207.1397
IUPAC Name:
7-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5NO5/c11-9(12)7-4-5-2-1-3-6(10(13)14)8(5)15-7/h1-4H,(H,11,12)
InChI Key:
ILIVDVZLSDYKJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1oc(c2)C(=O)O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.141g/mol
Monoisotopic Mass:
207.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties