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Home > Indoles and Oxindole > 1267470-51-8
1267470-51-8 | 1-isobutyryl-1H-indol-3-yl cyanide
CAS No: 1267470-51-8 Catalog No: AG00JJK5 MDL No:MFCD19316928
Product Description
Catalog Number:
AG00JJK5
Chemical Name:
1-isobutyryl-1H-indol-3-yl cyanide
CAS Number:
1267470-51-8
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD19316928
IUPAC Name:
1-(2-methylpropanoyl)indole-3-carbonitrile
InChI:
InChI=1S/C13H12N2O/c1-9(2)13(16)15-8-10(7-14)11-5-3-4-6-12(11)15/h3-6,8-9H,1-2H3
InChI Key:
SESOAUBJJSQPGS-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)C(=O)C(C)C
Properties
Complexity:
328
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:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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