1-Ethynyl-2-methoxy-4-nitrobenzene


Chemical Name: 1-Ethynyl-2-methoxy-4-nitrobenzene
CAS Number: 1135283-10-1
Product Number: AG0008W4(AGN-PC-0WAMPO)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3
Molecular Weight: 177.1568

Identification/Properties


Computed Properties
Molecular Weight:
177.159g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
177.043g/mol
Monoisotopic Mass:
177.043g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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