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Home > Bromides > 1499223-18-5
1499223-18-5 | 2H-Pyrimido[4,5-a]carbazol-2-one, 8-bromo-1,11-dihydro-
CAS No: 1499223-18-5 Catalog No: AG001M49 MDL No:
Product Description
Catalog Number:
AG001M49
Chemical Name:
2H-Pyrimido[4,5-a]carbazol-2-one, 8-bromo-1,11-dihydro-
CAS Number:
1499223-18-5
Molecular Formula:
C14H8BrN3O
Molecular Weight:
314.1368
IUPAC Name:
8-bromo-1,3-dihydropyrimido[4,5-a]carbazol-2-one
InChI:
InChI=1S/C14H8BrN3O/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:
SRGSTGMKNJALRR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(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:
312.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.142g/mol
Monoisotopic Mass:
312.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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