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1167055-34-6 | 1H-Indole-2-carboxylic acid, 7-fluoro-5-nitro-
CAS No: 1167055-34-6 Catalog No: AG000D1G MDL No:
Product Description
Catalog Number:
AG000D1G
Chemical Name:
1H-Indole-2-carboxylic acid, 7-fluoro-5-nitro-
CAS Number:
1167055-34-6
Molecular Formula:
C9H5FN2O4
Molecular Weight:
224.1454
IUPAC Name:
7-fluoro-5-nitro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5FN2O4/c10-6-3-5(12(15)16)1-4-2-7(9(13)14)11-8(4)6/h1-3,11H,(H,13,14)
InChI Key:
DAEPDAFWYPLRHC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(F)cc(c2)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.147g/mol
Monoisotopic Mass:
224.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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