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861872-50-6 | 7-Bromo-3-phenylquinolin-2(1H);-one
CAS No: 861872-50-6 Catalog No: AG004K66 MDL No:MFCD21364783
Product Description
Catalog Number:
AG004K66
Chemical Name:
7-Bromo-3-phenylquinolin-2(1H);-one
CAS Number:
861872-50-6
Molecular Formula:
C15H10BrNO
Molecular Weight:
300.1500
MDL Number:
MFCD21364783
IUPAC Name:
7-bromo-3-phenyl-1H-quinolin-2-one
InChI:
InChI=1S/C15H10BrNO/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(18)17-14(11)9-12/h1-9H,(H,17,18)
InChI Key:
JQOKLXJBTAVYDO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)c(c2)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.155g/mol
Monoisotopic Mass:
298.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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