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Home > Indoles and Oxindole > 917207-79-5
917207-79-5 | 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE
CAS No: 917207-79-5 Catalog No: AG006E49 MDL No:MFCD09723015
Product Description
Catalog Number:
AG006E49
Chemical Name:
1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE
CAS Number:
917207-79-5
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD09723015
IUPAC Name:
1-ethyl-2-methylindole-3-carbonitrile
InChI:
InChI=1S/C12H12N2/c1-3-14-9(2)11(8-13)10-6-4-5-7-12(10)14/h4-7H,3H2,1-2H3
InChI Key:
GISWIGCXCMKUMW-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)n(c2c1cccc2)CC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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