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157649-56-4 | 1H-Indole-2-carboxylic acid, 5-nitro-, methyl ester
CAS No: 157649-56-4 Catalog No: AG001PKV MDL No:MFCD08234686
Product Description
Catalog Number:
AG001PKV
Chemical Name:
1H-Indole-2-carboxylic acid, 5-nitro-, methyl ester
CAS Number:
157649-56-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD08234686
IUPAC Name:
methyl 5-nitro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H8N2O4/c1-16-10(13)9-5-6-4-7(12(14)15)2-3-8(6)11-9/h2-5,11H,1H3
InChI Key:
PTZVWKVAXNDAIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccc(c2)[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:
2.3
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