Home Halogens Ethyl 3-chlorobenzoate

Ethyl 3-chlorobenzoate

CAS No.:
1128-76-3
Catalog Number:
AG003Q7H
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$20
- +
25g
98%
In Stock USA
United States
$60
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003Q7H
Chemical Name:
Ethyl 3-chlorobenzoate
CAS Number:
1128-76-3
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00013634
IUPAC Name:
ethyl 3-chlorobenzoate
InChI:
InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key:
LVFRSNCBCHABAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)Cl
EC Number:
214-441-3
NSC Number:
67339
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/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  
Literature
Title Journal
3-Chloro-benzohydrazide. Acta crystallographica. Section E, Structure reports online 20100801
Properties