Home Halogens Methyl 3-chloro-4-methylbenzoate

Methyl 3-chloro-4-methylbenzoate

CAS No.:
56525-63-4
Catalog Number:
AG00IA38
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$25
- +
25g
96%
In Stock USA
United States
$75
- +
100g
96%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00IA38
Chemical Name:
Methyl 3-chloro-4-methylbenzoate
CAS Number:
56525-63-4
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00205141
IUPAC Name:
methyl 3-chloro-4-methylbenzoate
InChI:
InChI=1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key:
KTFQDZCNPGFKAH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)C
Properties
Complexity:
170  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties