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126728-21-0 | Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro-, hydrochloride (1:1)
CAS No: 126728-21-0 Catalog No: AG000T5Q MDL No:
Product Description
Catalog Number:
AG000T5Q
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro-, hydrochloride (1:1)
CAS Number:
126728-21-0
Molecular Formula:
C7H5Cl2N3O
Molecular Weight:
218.0401
IUPAC Name:
2-chloro-3H-pyrido[2,3-d]pyrimidin-4-one;hydrochloride
InChI:
InChI=1S/C7H4ClN3O.ClH/c8-7-10-5-4(6(12)11-7)2-1-3-9-5;/h1-3H,(H,9,10,11,12);1H
InChI Key:
RTDDQHZIZCKOJK-UHFFFAOYSA-N
SMILES:
Clc1nc2ncccc2c(=O)[nH]1.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.037g/mol
Monoisotopic Mass:
216.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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