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833488-14-5 | 8-Quinolinol, 5-[2-amino-6-(4-bromophenyl)-4-pyrimidinyl]-
CAS No: 833488-14-5 Catalog No: AG004S5Q MDL No:
Product Description
Catalog Number:
AG004S5Q
Chemical Name:
8-Quinolinol, 5-[2-amino-6-(4-bromophenyl)-4-pyrimidinyl]-
CAS Number:
833488-14-5
Molecular Formula:
C19H13BrN4O
Molecular Weight:
393.2367
IUPAC Name:
5-[2-amino-6-(4-bromophenyl)pyrimidin-4-yl]quinolin-8-ol
InChI:
InChI=1S/C19H13BrN4O/c20-12-5-3-11(4-6-12)15-10-16(24-19(21)23-15)13-7-8-17(25)18-14(13)2-1-9-22-18/h1-10,25H,(H2,21,23,24)
InChI Key:
ZVVNOOXVSOGKDS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(N)nc(c1)c1ccc(c2c1cccn2)O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.027g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.244g/mol
Monoisotopic Mass:
392.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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