Home Halogens Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate

Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate

CAS No.:
40258-72-8
Catalog Number:
AG00C8T6
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$200
- +
10g
97%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG00C8T6
Chemical Name:
Methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate
CAS Number:
40258-72-8
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
MDL Number:
MFCD08689690
IUPAC Name:
methyl 3-bromo-4-hydroxy-5-nitrobenzoate
InChI:
InChI=1S/C8H6BrNO5/c1-15-8(12)4-2-5(9)7(11)6(3-4)10(13)14/h2-3,11H,1H3
InChI Key:
QVNQBMGIVJNPJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.943g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.042g/mol
Monoisotopic Mass:
274.943g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties