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161466-20-2 | 1H-Indole-2-carboxylic acid, 1-[(4-nitrophenyl)methyl]-, ethyl ester
CAS No: 161466-20-2 Catalog No: AG001SHZ MDL No:
Product Description
Catalog Number:
AG001SHZ
Chemical Name:
1H-Indole-2-carboxylic acid, 1-[(4-nitrophenyl)methyl]-, ethyl ester
CAS Number:
161466-20-2
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
ethyl 1-[(4-nitrophenyl)methyl]indole-2-carboxylate
InChI:
InChI=1S/C18H16N2O4/c1-2-24-18(21)17-11-14-5-3-4-6-16(14)19(17)12-13-7-9-15(10-8-13)20(22)23/h3-11H,2,12H2,1H3
InChI Key:
MVDLYHZRGDDSQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1Cc1ccc(cc1)[N+](=O)[O-])cccc2
Properties
Complexity:
456
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:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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