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155697-64-6

155697-64-6 | 1H-Indole-2-carboxylic acid, 1-methyl-5-nitro-3-phenyl-, ethyl ester

CAS No: 155697-64-6 Catalog No: AG001O3T MDL No:

Product Description

Catalog Number:
AG001O3T
Chemical Name:
1H-Indole-2-carboxylic acid, 1-methyl-5-nitro-3-phenyl-, ethyl ester
CAS Number:
155697-64-6
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
ethyl 1-methyl-5-nitro-3-phenylindole-2-carboxylate
InChI:
InChI=1S/C18H16N2O4/c1-3-24-18(21)17-16(12-7-5-4-6-8-12)14-11-13(20(22)23)9-10-15(14)19(17)2/h4-11H,3H2,1-2H3
InChI Key:
KKVSEFNKUVENSF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]

Properties

Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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