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1167055-36-8 | 1H-Indole-2-carboxylic acid, 7-fluoro-5-nitro-, ethyl ester
CAS No: 1167055-36-8 Catalog No: AG000D1E MDL No:
Product Description
Catalog Number:
AG000D1E
Chemical Name:
1H-Indole-2-carboxylic acid, 7-fluoro-5-nitro-, ethyl ester
CAS Number:
1167055-36-8
Molecular Formula:
C11H9FN2O4
Molecular Weight:
252.1986
IUPAC Name:
ethyl 7-fluoro-5-nitro-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H9FN2O4/c1-2-18-11(15)9-4-6-3-7(14(16)17)5-8(12)10(6)13-9/h3-5,13H,2H2,1H3
InChI Key:
MYDPRQPDTOEPLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(F)cc(c2)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.201g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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