Home Halogens Methyl 4-chloro-3-methylbenzoate

Methyl 4-chloro-3-methylbenzoate

CAS No.:
91367-05-4
Catalog Number:
AG00357I
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$14
- +
25g
95%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG00357I
Chemical Name:
Methyl 4-chloro-3-methylbenzoate
CAS Number:
91367-05-4
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00151838
IUPAC Name:
methyl 4-chloro-3-methylbenzoate
InChI:
InChI=1S/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChI Key:
QOTGNXMPQNGYDM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)Cl
EC Number:
618-736-1
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:
3.3  
Properties