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29906-67-0 | 1-Methyl-5-nitro-1H-indole
CAS No: 29906-67-0 Catalog No: AG007K0W MDL No:MFCD07772841
Product Description
Catalog Number:
AG007K0W
Chemical Name:
1-Methyl-5-nitro-1H-indole
CAS Number:
29906-67-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD07772841
IUPAC Name:
1-methyl-5-nitroindole
InChI:
InChI=1S/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3
InChI Key:
PXBQSCHRKSBGKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccn2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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