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1588441-24-0 | 4-Pyrimidinecarboxylic acid, 2-amino-5-chloro-, hydrochloride (1:1)
CAS No: 1588441-24-0 Catalog No: AG001QXJ MDL No:MFCD26960780
Product Description
Catalog Number:
AG001QXJ
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-amino-5-chloro-, hydrochloride (1:1)
CAS Number:
1588441-24-0
Molecular Formula:
C5H5Cl2N3O2
Molecular Weight:
210.0181
MDL Number:
MFCD26960780
IUPAC Name:
2-amino-5-chloropyrimidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H4ClN3O2.ClH/c6-2-1-8-5(7)9-3(2)4(10)11;/h1H,(H,10,11)(H2,7,8,9);1H
InChI Key:
ZHXGZTTYUZPTLL-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C(=O)O)Cl.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.014g/mol
Monoisotopic Mass:
208.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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