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1499223-17-4 | 2H-Pyrimido[4,5-a]carbazol-2-one, 8-chloro-1,11-dihydro-
CAS No: 1499223-17-4 Catalog No: AG001M4A MDL No:
Product Description
Catalog Number:
AG001M4A
Chemical Name:
2H-Pyrimido[4,5-a]carbazol-2-one, 8-chloro-1,11-dihydro-
CAS Number:
1499223-17-4
Molecular Formula:
C14H8ClN3O
Molecular Weight:
269.6858
IUPAC Name:
8-chloro-1,3-dihydropyrimido[4,5-a]carbazol-2-one
InChI:
InChI=1S/C14H8ClN3O/c15-8-2-4-11-10(5-8)9-3-1-7-6-16-14(19)18-12(7)13(9)17-11/h1-6H,(H2,16,18,19)
InChI Key:
FOPOHABXHKGISO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1ccc3c(c1[nH]2)[nH]c(=O)nc3
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.688g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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