Home Halogens Methyl 4-chloro-3-nitrobenzoate

Methyl 4-chloro-3-nitrobenzoate

CAS No.:
14719-83-6
Catalog Number:
AG00357J
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$44
- +
100g
97%
In Stock USA
United States
$132
- +
500g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00357J
Chemical Name:
Methyl 4-chloro-3-nitrobenzoate
CAS Number:
14719-83-6
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD00016989
IUPAC Name:
methyl 4-chloro-3-nitrobenzoate
InChI:
InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
InChI Key:
XRTKWPWDSUNLHS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Methyl 4-anilino-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090601
Methyl 4-chloro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20080201
Properties