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Home > Indoles and Oxindole > 490039-77-5
490039-77-5 | 2-Iodo-1-methyl-1H-indole-3-carbonitrile
CAS No: 490039-77-5 Catalog No: AG006VY9 MDL No:MFCD13177409
Product Description
Catalog Number:
AG006VY9
Chemical Name:
2-Iodo-1-methyl-1H-indole-3-carbonitrile
CAS Number:
490039-77-5
Molecular Formula:
C10H7IN2
Molecular Weight:
282.0804
MDL Number:
MFCD13177409
IUPAC Name:
2-iodo-1-methylindole-3-carbonitrile
InChI:
InChI=1S/C10H7IN2/c1-13-9-5-3-2-4-7(9)8(6-12)10(13)11/h2-5H,1H3
InChI Key:
WDYAQGZILWGHJF-UHFFFAOYSA-N
SMILES:
N#Cc1c(I)n(c2c1cccc2)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.084g/mol
Monoisotopic Mass:
281.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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