Home Halogens Ethyl 3-chloromethylbenzoate

Ethyl 3-chloromethylbenzoate

CAS No.:
54589-54-7
Catalog Number:
AG00I9R3
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$17
- +
5g
98%
In Stock USA
United States
$44
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG00I9R3
Chemical Name:
Ethyl 3-chloromethylbenzoate
CAS Number:
54589-54-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD07781453
IUPAC Name:
ethyl 3-(chloromethyl)benzoate
InChI:
InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3
InChI Key:
ZJNVMXXFCNKXLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)CCl
Properties
Complexity:
170  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties