Home Halogens Benzoic acid, 2-(acetyloxy)-5-chloro-

Benzoic acid, 2-(acetyloxy)-5-chloro-

CAS No.:
1734-62-9
Catalog Number:
AG001YVM
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG001YVM
Chemical Name:
Benzoic acid, 2-(acetyloxy)-5-chloro-
CAS Number:
1734-62-9
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD00096360
IUPAC Name:
2-acetyloxy-5-chlorobenzoic acid
InChI:
InChI=1S/C9H7ClO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
CNWHHQWYXIPHGY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1C(=O)O)Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties