Home Halogens Methyl 4-chlorobenzoate

Methyl 4-chlorobenzoate

CAS No.:
1126-46-1
Catalog Number:
AG0033ZX
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0033ZX
Chemical Name:
Methyl 4-chlorobenzoate
CAS Number:
1126-46-1
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00000621
IUPAC Name:
methyl 4-chlorobenzoate
InChI:
InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
LXNFVVDCCWUUKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Cl
EC Number:
214-420-9
UNII:
M0U80J80VA
NSC Number:
8366
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3. ChemMedChem 20111209
Properties