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22414-26-2,MFCD03424723
Catalog No.:AA003HT0
22414-26-2 | 2-Phenylpropanoyl chloride
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Technical Information
Catalog Number:
AA003HT0
Chemical Name:
2-Phenylpropanoyl chloride
CAS Number:
22414-26-2
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD03424723
IUPAC Name:
2-phenylpropanoyl chloride
InChI:
InChI=1S/C9H9ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
FOTITZRWZUAVPH-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C(=O)Cl
Properties
Computed Properties
 
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
2-phenylpropanoyl chloride 
22414-26-2 
CTK6A5602 
DTXSID20375141 
FOTITZRWZUAVPH-UHFFFAOYSA-N 
alpha-phenylpropionic acid chloride 
2-Phenylpropionyl chloride, >=95% 
MFCD03424723 
AKOS006282315 
FS-6051 
(+/-)-2-phenylpropionic acid chloride 
TC-170322 
2-Phenylpropionyl chloride 
FT-0745106 
I01-7896 
J-014699 
2-Phenylpropanoylchloride 
ZINC04269947 
CID2760403 
2-Phenyl-propionyl chloride 
Hydratropoyl chloride 
ACMC-20annf 
AC1MC2LL 
SCHEMBL720886 
2-Phenylpropanoic acid chloride 
2-phenylpropionic acid chloride 
Literature
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