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78711-28-1 | Pyrido[3,2-d]pyrimidin-4(3H)-one, 2-chloro-6-methyl-
CAS No: 78711-28-1 Catalog No: AG005JV2 MDL No:
Product Description
Catalog Number:
AG005JV2
Chemical Name:
Pyrido[3,2-d]pyrimidin-4(3H)-one, 2-chloro-6-methyl-
CAS Number:
78711-28-1
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
2-chloro-6-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C8H6ClN3O/c1-4-2-3-5-6(10-4)7(13)12-8(9)11-5/h2-3H,1H3,(H,11,12,13)
InChI Key:
OKZOXGSIGCEPSX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(=O)[nH]c(n2)Cl
NSC Number:
284225
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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