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Home > Indoles and Oxindole > 72496-79-8
72496-79-8 | 1H-Indole, 3-[(3-nitrophenyl)thio]-
CAS No: 72496-79-8 Catalog No: AG005T4Z MDL No:
Product Description
Catalog Number:
AG005T4Z
Chemical Name:
1H-Indole, 3-[(3-nitrophenyl)thio]-
CAS Number:
72496-79-8
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
3-(3-nitrophenyl)sulfanyl-1H-indole
InChI:
InChI=1S/C14H10N2O2S/c17-16(18)10-4-3-5-11(8-10)19-14-9-15-13-7-2-1-6-12(13)14/h1-9,15H
InChI Key:
CGMMPFJILBVQEK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Sc1c[nH]c2c1cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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