Home Halogens Methyl 4-chloro-3,5-dimethylbenzoate

Methyl 4-chloro-3,5-dimethylbenzoate

CAS No.:
1192547-87-7
Catalog Number:
AG000P6K
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$107
- +
500mg
95%
In Stock USA
United States
$191
- +
1g
95%
In Stock USA
United States
$260
- +
5g
95%
In Stock USA
United States
$882
- +
Product Description
Catalog Number:
AG000P6K
Chemical Name:
Methyl 4-chloro-3,5-dimethylbenzoate
CAS Number:
1192547-87-7
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD22552976
IUPAC Name:
methyl 4-chloro-3,5-dimethylbenzoate
InChI:
InChI=1S/C10H11ClO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,1-3H3
InChI Key:
YLDCLGVDBHWQBX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)C)Cl
Properties
Complexity:
181  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties