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Home > Aldehydes > 289483-81-4
289483-81-4 | 1H-Indole-3-carboxaldehyde, 4-methyl-7-nitro-
CAS No: 289483-81-4 Catalog No: AG002X5K MDL No:
Product Description
Catalog Number:
AG002X5K
Chemical Name:
1H-Indole-3-carboxaldehyde, 4-methyl-7-nitro-
CAS Number:
289483-81-4
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
4-methyl-7-nitro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H8N2O3/c1-6-2-3-8(12(14)15)10-9(6)7(5-13)4-11-10/h2-5,11H,1H3
InChI Key:
ILKYFKTXIFABKK-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)ccc2[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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