Home Halogens Methyl 2-chloro-3-nitrobenzoate

Methyl 2-chloro-3-nitrobenzoate

CAS No.:
53553-14-3
Catalog Number:
AG00D8OT
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$419
- +
500mg
95%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00D8OT
Chemical Name:
Methyl 2-chloro-3-nitrobenzoate
CAS Number:
53553-14-3
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD00482383
IUPAC Name:
methyl 2-chloro-3-nitrobenzoate
InChI:
InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
InChI Key:
JBCQPBVZKBEHNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Cl)[N+](=O)[O-]
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:
2.3  
Properties