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Home > Indoles and Oxindole > 51072-84-5
51072-84-5 | 1H-Indole-3-carbonitrile, 1,2-dimethyl-
CAS No: 51072-84-5 Catalog No: AG00I958 MDL No:MFCD00460785
Product Description
Catalog Number:
AG00I958
Chemical Name:
1H-Indole-3-carbonitrile, 1,2-dimethyl-
CAS Number:
51072-84-5
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD00460785
IUPAC Name:
1,2-dimethylindole-3-carbonitrile
InChI:
InChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3
InChI Key:
QWHVKHABWPGMGT-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)n(c2c1cccc2)C
Properties
Complexity:
240
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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