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52559-37-2 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-2-(2-hydroxyethyl)-
CAS No: 52559-37-2 Catalog No: AG01FM81 MDL No:MFCD00476635
Product Description
Catalog Number:
AG01FM81
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-2-(2-hydroxyethyl)-
CAS Number:
52559-37-2
Molecular Formula:
C14H10BrNO3
Molecular Weight:
320.1381
MDL Number:
MFCD00476635
IUPAC Name:
6-bromo-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C14H10BrNO3/c15-11-5-4-10-12-8(11)2-1-3-9(12)13(18)16(6-7-17)14(10)19/h1-5,17H,6-7H2
InChI Key:
OFYBUNRNPXLEFK-UHFFFAOYSA-N
SMILES:
OCCn1c(=O)c2cccc3c2c(c1=O)ccc3Br
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.142g/mol
Monoisotopic Mass:
318.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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