Home Nitriles 1H-Indole-3-carbonitrile, 4-methyl-7-nitro-

1H-Indole-3-carbonitrile, 4-methyl-7-nitro-

CAS No.:
289483-82-5
Catalog Number:
AG002X5J
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
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Product Description
Catalog Number:
AG002X5J
Chemical Name:
1H-Indole-3-carbonitrile, 4-methyl-7-nitro-
CAS Number:
289483-82-5
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
MDL Number:
MFCD17779298
IUPAC Name:
4-methyl-7-nitro-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H7N3O2/c1-6-2-3-8(13(14)15)10-9(6)7(4-11)5-12-10/h2-3,5,12H,1H3
InChI Key:
XDNBPEYPQDBCIK-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(C)ccc2[N+](=O)[O-]
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  
Properties