Home Nitriles 2-(2-methyl-1H-indol-3-yl)acetonitrile

2-(2-methyl-1H-indol-3-yl)acetonitrile

CAS No.:
4071-16-3
Catalog Number:
AG00D625
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
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Product Description
Catalog Number:
AG00D625
Chemical Name:
2-(2-methyl-1H-indol-3-yl)acetonitrile
CAS Number:
4071-16-3
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(2-methyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6H2,1H3
InChI Key:
BBQKWCPGVNOHCK-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)[nH]c2c1cccc2
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties