Benzoyl chloride, 2-(chloromethyl)-


Chemical Name: Benzoyl chloride, 2-(chloromethyl)-
CAS Number: 42908-86-1
Product Number: AG00IMF1(AGN-PC-0KNW68)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O
Molecular Weight: 189.03864

Identification/Properties


Computed Properties
Molecular Weight:
189.035g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
187.98g/mol
Monoisotopic Mass:
187.98g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
147
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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