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Home > Indoles and Oxindole > 815586-77-7
815586-77-7 | 1H-Indole-3-carbonitrile,2-methyl-5-nitro-(9CI)
CAS No: 815586-77-7 Catalog No: AG00GDPO MDL No:
Product Description
Catalog Number:
AG00GDPO
Chemical Name:
1H-Indole-3-carbonitrile,2-methyl-5-nitro-(9CI)
CAS Number:
815586-77-7
IUPAC Name:
2-methyl-5-nitro-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H7N3O2/c1-6-9(5-11)8-4-7(13(14)15)2-3-10(8)12-6/h2-4,12H,1H3
InChI Key:
XHXNTIXDROTEEP-UHFFFAOYSA-N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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