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289483-87-0 | 1H-Indole-3-carbonitrile, 7-amino-4-methyl-
CAS No: 289483-87-0 Catalog No: AG002X5H MDL No:MFCD09955317
Product Description
Catalog Number:
AG002X5H
Chemical Name:
1H-Indole-3-carbonitrile, 7-amino-4-methyl-
CAS Number:
289483-87-0
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD09955317
IUPAC Name:
7-amino-4-methyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H9N3/c1-6-2-3-8(12)10-9(6)7(4-11)5-13-10/h2-3,5,13H,12H2,1H3
InChI Key:
SHVBJIBHAKCNMY-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(C)ccc2N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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