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Home > Indoles and Oxindole > 10553-08-9
10553-08-9 | 7-methyl-5-nitro-1H-indole
CAS No: 10553-08-9 Catalog No: AG01A3I5 MDL No:MFCD22556380
Product Description
Catalog Number:
AG01A3I5
Chemical Name:
7-methyl-5-nitro-1H-indole
CAS Number:
10553-08-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD22556380
IUPAC Name:
7-methyl-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-4-8(11(12)13)5-7-2-3-10-9(6)7/h2-5,10H,1H3
InChI Key:
BGLMRHYPBSQOTA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c2c(c1)cc[nH]2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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