Home Halogens Methyl 3,4-dichloro-5-nitrobenzoate

Methyl 3,4-dichloro-5-nitrobenzoate

CAS No.:
63105-53-3
Catalog Number:
AG00F5QJ
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$140
- +
5g
95%
In Stock USA
United States
$424
- +
10g
95%
In Stock USA
United States
$708
- +
25g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00F5QJ
Chemical Name:
Methyl 3,4-dichloro-5-nitrobenzoate
CAS Number:
63105-53-3
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
MDL Number:
MFCD12172531
IUPAC Name:
methyl 3,4-dichloro-5-nitrobenzoate
InChI:
InChI=1S/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)7(10)6(3-4)11(13)14/h2-3H,1H3
InChI Key:
XHIKDBWLWFGQEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])Cl
EC Number:
263-858-7
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.96g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.031g/mol
Monoisotopic Mass:
248.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties