Home Carboxys 1-(pyrimidin-2-yl)-1H-imidazole-4-carboxylic acid dihydrochloride

1-(pyrimidin-2-yl)-1H-imidazole-4-carboxylic acid dihydrochloride

CAS No.:
1808532-55-9
Catalog Number:
AG01C4LJ
Molecular Formula:
C8H8Cl2N4O2
Molecular Weight:
263.0807
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Product Description
Catalog Number:
AG01C4LJ
Chemical Name:
1-(pyrimidin-2-yl)-1H-imidazole-4-carboxylic acid dihydrochloride
CAS Number:
1808532-55-9
Molecular Formula:
C8H8Cl2N4O2
Molecular Weight:
263.0807
MDL Number:
MFCD29763165
IUPAC Name:
1-pyrimidin-2-ylimidazole-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H6N4O2.2ClH/c13-7(14)6-4-12(5-11-6)8-9-2-1-3-10-8;;/h1-5H,(H,13,14);2*1H
InChI Key:
NFICMTSZTCWMLG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1)c1ncccn1.Cl.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
263.078g/mol
Monoisotopic Mass:
262.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties