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Home > Indoles and Oxindole > 175913-29-8
175913-29-8 | 1H-Indole, 5-methoxy-6-nitro-
CAS No: 175913-29-8 Catalog No: AG0021AR MDL No:
Product Description
Catalog Number:
AG0021AR
Chemical Name:
1H-Indole, 5-methoxy-6-nitro-
CAS Number:
175913-29-8
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
5-methoxy-6-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O3/c1-14-9-4-6-2-3-10-7(6)5-8(9)11(12)13/h2-5,10H,1H3
InChI Key:
WDXINEUUEKDULS-UHFFFAOYSA-N
SMILES:
COc1cc2cc[nH]c2cc1[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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