Benzenepropanenitrile, 3-chloro-b-oxo-


Chemical Name: Benzenepropanenitrile, 3-chloro-b-oxo-
CAS Number: 21667-62-9
Product Number: AG00702X(AGN-PC-0QY7KX)
Synonyms:
MDL No:
Molecular Formula: C9H6ClNO
Molecular Weight: 179.6030

Identification/Properties


Computed Properties
Molecular Weight:
179.603g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
179.014g/mol
Monoisotopic Mass:
179.014g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
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

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NMR Spectrum


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