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18238-42-1 | 5H-Benzocyclohepten-5-one, 2,3-bis(acetyloxy)-9-bromo-6,7,8,9-tetrahydro-
CAS No: 18238-42-1 Catalog No: AG0023Q9 MDL No:
Product Description
Catalog Number:
AG0023Q9
Chemical Name:
5H-Benzocyclohepten-5-one, 2,3-bis(acetyloxy)-9-bromo-6,7,8,9-tetrahydro-
CAS Number:
18238-42-1
Molecular Formula:
C15H15BrO5
Molecular Weight:
355.1806
IUPAC Name:
(3-acetyloxy-9-bromo-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate
InChI:
InChI=1S/C15H15BrO5/c1-8(17)20-14-6-10-11(7-15(14)21-9(2)18)13(19)5-3-4-12(10)16/h6-7,12H,3-5H2,1-2H3
InChI Key:
AUAQXJFSILQMNB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2C(=O)CCCC(c2cc1OC(=O)C)Br
NSC Number:
146101
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.01g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.184g/mol
Monoisotopic Mass:
354.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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