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50389-29-2,MFCD11939214
Catalog No.:AA003HJB
50389-29-2 | 2-Methyl-2-phenoxypropanoyl chloride
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Price(USD)
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500mg
2 weeks  
$324.00
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Technical Information
Catalog Number:
AA003HJB
Chemical Name:
2-Methyl-2-phenoxypropanoyl chloride
CAS Number:
50389-29-2
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD11939214
IUPAC Name:
2-methyl-2-phenoxypropanoyl chloride
InChI:
InChI=1S/C10H11ClO2/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
WWIJGHHDQFJHQW-UHFFFAOYSA-N
SMILES:
ClC(=O)C(Oc1ccccc1)(C)C
Properties
Computed Properties
 
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
2-methyl-2-phenoxypropanoyl chloride 
50389-29-2 
2-phenoxy-2-methylpropionyl chloride 
BBL014916 
FCH923353 
MFCD11939214 
STL197325 
ZINC33432946 
AKOS005173152 
MCULE-5639570600 
2-methyl-2-phenoxypropionic acid chloride 
FT-0683332 
Propanoyl chloride, 2-methyl-2-phenoxy- 
Z-1682 
I14-27517 
SCHEMBL1805865 
2-phenoxyisobutyric acid chloride 
CTK1G6777 
DTXSID40518538 
WWIJGHHDQFJHQW-UHFFFAOYSA-N 
ALBB-011279 
ZX-AN010096 
Literature
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