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87712-57-0 | 1(4H)-Naphthalenone, 5-(acetyloxy)-2,4,4-tribromo-
CAS No: 87712-57-0 Catalog No: AG004JCU MDL No:
Product Description
Catalog Number:
AG004JCU
Chemical Name:
1(4H)-Naphthalenone, 5-(acetyloxy)-2,4,4-tribromo-
CAS Number:
87712-57-0
Molecular Formula:
C12H7Br3O3
Molecular Weight:
438.8942
IUPAC Name:
(6,8,8-tribromo-5-oxonaphthalen-1-yl) acetate
InChI:
InChI=1S/C12H7Br3O3/c1-6(16)18-9-4-2-3-7-10(9)12(14,15)5-8(13)11(7)17/h2-5H,1H3
InChI Key:
UILZHZUQFXIBEQ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1C(Br)(Br)C=C(C2=O)Br
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.792g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.897g/mol
Monoisotopic Mass:
435.795g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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