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Home > Indoles and Oxindole > 51072-83-4
51072-83-4 | 1H-Indole-3-carbonitrile, 2-methyl-
CAS No: 51072-83-4 Catalog No: AG00I957 MDL No:MFCD01475745
Product Description
Catalog Number:
AG00I957
Chemical Name:
1H-Indole-3-carbonitrile, 2-methyl-
CAS Number:
51072-83-4
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD01475745
IUPAC Name:
2-methyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-5,12H,1H3
InChI Key:
ZFFATLKERBHVHQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)[nH]c2c1cccc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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