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Home Halogens 3-Methyl-2-(4-chlorophenyl)butyryl chloride

3-Methyl-2-(4-chlorophenyl)butyryl chloride

CAS No.:
51631-50-6
Catalog Number:
AG003B2B
Molecular Formula:
C11H12Cl2O
Molecular Weight:
231.1184
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$125
- +
500g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003B2B
Chemical Name:
3-Methyl-2-(4-chlorophenyl)butyryl chloride
CAS Number:
51631-50-6
Molecular Formula:
C11H12Cl2O
Molecular Weight:
231.1184
MDL Number:
MFCD03093952
IUPAC Name:
2-(4-chlorophenyl)-3-methylbutanoyl chloride
InChI:
InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChI Key:
BWPYAVCZZUTOBY-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(cc1)Cl)C(=O)Cl)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.027g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.116g/mol
Monoisotopic Mass:
230.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
3-Mesityl-2-oxo-1-oxaspiro-[4.4]non-3-en-4-yl 2-(4-chloro-phen-yl)-3-methyl-butyrate. Acta crystallographica. Section E, Structure reports online 20090101
2-(4-Chloro-phen-yl)-3-methyl-N-(5-methyl-thia-zol-2-yl)butanamide. Acta crystallographica. Section E, Structure reports online 20090101
Properties