Home Halogens 6-bromo-5-chloropyrazine-2-carboxylic acid

6-bromo-5-chloropyrazine-2-carboxylic acid

CAS No.:
1017604-40-8
Catalog Number:
AG01CA9K
Molecular Formula:
C5H2BrClN2O2
Molecular Weight:
237.4386
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Product Description
Catalog Number:
AG01CA9K
Chemical Name:
6-bromo-5-chloropyrazine-2-carboxylic acid
CAS Number:
1017604-40-8
Molecular Formula:
C5H2BrClN2O2
Molecular Weight:
237.4386
MDL Number:
MFCD18073162
IUPAC Name:
6-bromo-5-chloropyrazine-2-carboxylic acid
InChI:
InChI=1S/C5H2BrClN2O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H,10,11)
InChI Key:
JUYYXLOQLBQRCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(n1)Br)Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.899g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.437g/mol
Monoisotopic Mass:
235.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties