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Home > Indoles and Oxindole > 917614-76-7
917614-76-7 | Benzoic acid, 5-nitro-2-[(1E)-2-[1-(phenylmethyl)-1H-indol-2-yl]ethenyl]-
CAS No: 917614-76-7 Catalog No: AG006D4E MDL No:
Product Description
Catalog Number:
AG006D4E
Chemical Name:
Benzoic acid, 5-nitro-2-[(1E)-2-[1-(phenylmethyl)-1H-indol-2-yl]ethenyl]-
CAS Number:
917614-76-7
Molecular Formula:
C24H18N2O4
Molecular Weight:
398.4107
IUPAC Name:
2-[2-(1-benzylindol-2-yl)ethenyl]-5-nitrobenzoic acid
InChI:
InChI=1S/C24H18N2O4/c27-24(28)22-15-21(26(29)30)13-11-18(22)10-12-20-14-19-8-4-5-9-23(19)25(20)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,27,28)
InChI Key:
AMBPRBRWFOZMQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1/C=C/c1cc2c(n1Cc1ccccc1)cccc2)[N+](=O)[O-]
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.418g/mol
Monoisotopic Mass:
398.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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