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Home > Indoles and Oxindole > 175913-32-3
175913-32-3 | 1H-Indole, 7-Methoxy-4-nitro-
CAS No: 175913-32-3 Catalog No: AG0021AQ MDL No:MFCD21337064
Product Description
Catalog Number:
AG0021AQ
Chemical Name:
1H-Indole, 7-Methoxy-4-nitro-
CAS Number:
175913-32-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD21337064
IUPAC Name:
7-methoxy-4-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O3/c1-14-8-3-2-7(11(12)13)6-4-5-10-9(6)8/h2-5,10H,1H3
InChI Key:
LLEMQUFWHPCBIT-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]cc2)[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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