Home Nitros 1H-Indole, 5-methoxy-4-nitro-

1H-Indole, 5-methoxy-4-nitro-

CAS No.:
135531-92-9
Catalog Number:
AG0039JK
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG0039JK
Chemical Name:
1H-Indole, 5-methoxy-4-nitro-
CAS Number:
135531-92-9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD21362824
IUPAC Name:
5-methoxy-4-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O3/c1-14-8-3-2-7-6(4-5-10-7)9(8)11(12)13/h2-5,10H,1H3
InChI Key:
NPFMBMRULROMHX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])cc[nH]2
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  
Properties