Home Halogens Methyl 2-bromo-6-nitrobenzoate

Methyl 2-bromo-6-nitrobenzoate

CAS No.:
135484-76-3
Catalog Number:
AG009ISU
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
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Product Description
Catalog Number:
AG009ISU
Chemical Name:
Methyl 2-bromo-6-nitrobenzoate
CAS Number:
135484-76-3
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD11977361
IUPAC Name:
methyl 2-bromo-6-nitrobenzoate
InChI:
InChI=1S/C8H6BrNO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3
InChI Key:
CBQNPPDKHCOWGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)cccc1[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:
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:
1.3  
Properties