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175913-28-7 | 4-Methoxy-5-nitro-1H-indole
CAS No: 175913-28-7 Catalog No: AG0021AS MDL No:
Product Description
Catalog Number:
AG0021AS
Chemical Name:
4-Methoxy-5-nitro-1H-indole
CAS Number:
175913-28-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
4-methoxy-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O3/c1-14-9-6-4-5-10-7(6)2-3-8(9)11(12)13/h2-5,10H,1H3
InChI Key:
POPIBXROQABXEQ-UHFFFAOYSA-N
SMILES:
COc1c(ccc2c1cc[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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