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10242-12-3 | 2-Benzofurancarboxylic acid, 5-nitro-
CAS No: 10242-12-3 Catalog No: AG0007FE MDL No:MFCD00060513
Product Description
Catalog Number:
AG0007FE
Chemical Name:
2-Benzofurancarboxylic acid, 5-nitro-
CAS Number:
10242-12-3
Molecular Formula:
C9H5NO5
Molecular Weight:
207.1397
MDL Number:
MFCD00060513
IUPAC Name:
5-nitro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5NO5/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChI Key:
LZKWLHXJPIKJSJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)ccc(c2)[N+](=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:
2.2
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