Home Halogens Methyl 3-bromo-2-nitrobenzoate

Methyl 3-bromo-2-nitrobenzoate

CAS No.:
104670-71-5
Catalog Number:
AG00HADU
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$225
- +
5g
97%
1 week
United States
$603
- +
Product Description
Catalog Number:
AG00HADU
Chemical Name:
Methyl 3-bromo-2-nitrobenzoate
CAS Number:
104670-71-5
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD14697993
IUPAC Name:
methyl 3-bromo-2-nitrobenzoate
InChI:
InChI=1S/C8H6BrNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3
InChI Key:
RPVJUANCLHFOFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1Br)C(=O)OC
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties