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Home > Indoles and Oxindole > 175913-41-4
175913-41-4 | 1H-Indole, 4-methoxy-6-nitro-
CAS No: 175913-41-4 Catalog No: AG0021AP MDL No:
Product Description
Catalog Number:
AG0021AP
Chemical Name:
1H-Indole, 4-methoxy-6-nitro-
CAS Number:
175913-41-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
4-methoxy-6-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O3/c1-14-9-5-6(11(12)13)4-8-7(9)2-3-10-8/h2-5,10H,1H3
InChI Key:
RJJWRLNBFXLPKI-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1cc[nH]2)[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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