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61861-88-9 | 3-Methyl-5-nitro-1H-indole
CAS No: 61861-88-9 Catalog No: AG00F4ZK MDL No:MFCD00277073
Product Description
Catalog Number:
AG00F4ZK
Chemical Name:
3-Methyl-5-nitro-1H-indole
CAS Number:
61861-88-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00277073
IUPAC Name:
3-methyl-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3
InChI Key:
LPFQDJBJGFUMRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(C)c[nH]c2cc1
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:
2.4
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