Benzeneacetonitrile, 5-chloro-2-methoxy-


Chemical Name: Benzeneacetonitrile, 5-chloro-2-methoxy-
CAS Number: 7048-38-6
Product Number: AG005IK8(AGN-PC-0LWTHL)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNO
Molecular Weight: 181.6189

Identification/Properties


Properties
MP:
63℃(Solv: water (7732-18-5); ethanol (64-17-5))
BP:
286.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
181.619g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
181.029g/mol
Monoisotopic Mass:
181.029g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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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