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2-Chlorophenyl acetate

CAS No.:
4525-75-1
Catalog Number:
AG003H34
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$117
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Product Description
Catalog Number:
AG003H34
Chemical Name:
2-Chlorophenyl acetate
CAS Number:
4525-75-1
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD01632281
IUPAC Name:
(2-chlorophenyl) acetate
InChI:
InChI=1S/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
InChI Key:
CJPVPOYTTALCNX-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1Cl
EC Number:
812-487-4
NSC Number:
404080
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080701
Properties