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1167056-39-4 | 1H-Indole-2-carboxylic acid, 4-fluoro-7-nitro-
CAS No: 1167056-39-4 Catalog No: AG000D33 MDL No:
Product Description
Catalog Number:
AG000D33
Chemical Name:
1H-Indole-2-carboxylic acid, 4-fluoro-7-nitro-
CAS Number:
1167056-39-4
Molecular Formula:
C9H5FN2O4
Molecular Weight:
224.1454
IUPAC Name:
4-fluoro-7-nitro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5FN2O4/c10-5-1-2-7(12(15)16)8-4(5)3-6(11-8)9(13)14/h1-3,11H,(H,13,14)
InChI Key:
KOJMWXQZWHMHAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(ccc2F)[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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