Home Halogens 5-Bromo-4-chloronicotinic acid

5-Bromo-4-chloronicotinic acid

CAS No.:
1256790-85-8
Catalog Number:
AG000ODG
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$873
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Product Description
Catalog Number:
AG000ODG
Chemical Name:
5-Bromo-4-chloronicotinic acid
CAS Number:
1256790-85-8
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
MDL Number:
MFCD18257862
IUPAC Name:
5-bromo-4-chloropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3BrClNO2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H,10,11)
InChI Key:
AEYIMKNQTWXCNI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1Cl)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.904g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.449g/mol
Monoisotopic Mass:
234.904g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties