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135531-92-9

135531-92-9 | 1H-Indole, 5-methoxy-4-nitro-

CAS No: 135531-92-9 Catalog No: AG0039JK MDL No:MFCD21362824

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  

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