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1000343-62-3 | 1H-Indole-6-carboxylic acid, 4-nitro-, methyl ester
CAS No: 1000343-62-3 Catalog No: AG0000LG MDL No:
Product Description
Catalog Number:
AG0000LG
Chemical Name:
1H-Indole-6-carboxylic acid, 4-nitro-, methyl ester
CAS Number:
1000343-62-3
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
methyl 4-nitro-1H-indole-6-carboxylate
InChI:
InChI=1S/C10H8N2O4/c1-16-10(13)6-4-8-7(2-3-11-8)9(5-6)12(14)15/h2-5,11H,1H3
InChI Key:
IFOFOPSZBXKRAG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc2c(c1)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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