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878743-46-5 | 6-Chloro-3-methylpyrido[3,4-d]pyrimidin-4(3H);-one
CAS No: 878743-46-5 Catalog No: AG004IVW MDL No:MFCD11044715
Product Description
Catalog Number:
AG004IVW
Chemical Name:
6-Chloro-3-methylpyrido[3,4-d]pyrimidin-4(3H);-one
CAS Number:
878743-46-5
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD11044715
IUPAC Name:
6-chloro-3-methylpyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C8H6ClN3O/c1-12-4-11-6-3-10-7(9)2-5(6)8(12)13/h2-4H,1H3
InChI Key:
DQKOTOCNDNDSCM-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)c(=O)n(cn2)C
Properties
Complexity:
256
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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