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Home > Indoles and Oxindole > 83102-50-5
83102-50-5 | 1H-Indole, 2-(3,5-dimethyl-4-isoxazolyl)-
CAS No: 83102-50-5 Catalog No: AG005220 MDL No:
Product Description
Catalog Number:
AG005220
Chemical Name:
1H-Indole, 2-(3,5-dimethyl-4-isoxazolyl)-
CAS Number:
83102-50-5
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
4-(1H-indol-2-yl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C13H12N2O/c1-8-13(9(2)16-15-8)12-7-10-5-3-4-6-11(10)14-12/h3-7,14H,1-2H3
InChI Key:
DCOFHHJDDVIYPS-UHFFFAOYSA-N
SMILES:
Cc1noc(c1c1cc2c([nH]1)cccc2)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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