Home Halogens 3-amino-6-chloro-5-hydroxypyrazine-2-carboxylic acid

3-amino-6-chloro-5-hydroxypyrazine-2-carboxylic acid

CAS No.:
14317-42-1
Catalog Number:
AG01A3FU
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
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Product Description
Catalog Number:
AG01A3FU
Chemical Name:
3-amino-6-chloro-5-hydroxypyrazine-2-carboxylic acid
CAS Number:
14317-42-1
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
MDL Number:
MFCD20647455
IUPAC Name:
2-amino-5-chloro-6-oxo-1H-pyrazine-3-carboxylic acid
InChI:
InChI=1S/C5H4ClN3O3/c6-2-4(10)9-3(7)1(8-2)5(11)12/h(H,11,12)(H3,7,9,10)
InChI Key:
IYKYJCKRICQQSC-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)c(nc1N)O
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.555g/mol
Monoisotopic Mass:
188.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties