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87273-60-7 | 9-chloro-5-hydroxy-8-methyl-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-10-one
CAS No: 87273-60-7 Catalog No: AG004PG7 MDL No:
Product Description
Catalog Number:
AG004PG7
Chemical Name:
9-chloro-5-hydroxy-8-methyl-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-10-one
CAS Number:
87273-60-7
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
3-chloro-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H7ClN2O2/c1-5-7(10)9(14)12-4-2-3-6(13)8(12)11-5/h2-4,13H,1H3
InChI Key:
SVRZRZNYMXSDFL-UHFFFAOYSA-N
SMILES:
Cc1nc2c(O)cccn2c(=O)c1Cl
NSC Number:
149259
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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