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141451-73-2 | 1H-Indole-5-carboxylic acid, 1-[(3-nitrophenyl)methyl]-, methyl ester
CAS No: 141451-73-2 Catalog No: AG001GEK MDL No:
Product Description
Catalog Number:
AG001GEK
Chemical Name:
1H-Indole-5-carboxylic acid, 1-[(3-nitrophenyl)methyl]-, methyl ester
CAS Number:
141451-73-2
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
methyl 1-[(3-nitrophenyl)methyl]indole-5-carboxylate
InChI:
InChI=1S/C17H14N2O4/c1-23-17(20)14-5-6-16-13(10-14)7-8-18(16)11-12-3-2-4-15(9-12)19(21)22/h2-10H,11H2,1H3
InChI Key:
VFNOJKKLDZQJCH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccn2Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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