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88070-94-4 | 2(3H)-Furanone, 5-(bromomethylene)dihydro-3-(1-naphthalenyl)-, (E)-
CAS No: 88070-94-4 Catalog No: AG004HWG MDL No:
Product Description
Catalog Number:
AG004HWG
Chemical Name:
2(3H)-Furanone, 5-(bromomethylene)dihydro-3-(1-naphthalenyl)-, (E)-
CAS Number:
88070-94-4
Molecular Formula:
C15H11BrO2
Molecular Weight:
303.1506
IUPAC Name:
5-(bromomethylidene)-3-naphthalen-1-yloxolan-2-one
InChI:
InChI=1S/C15H11BrO2/c16-9-11-8-14(15(17)18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,14H,8H2
InChI Key:
HBJKHKYMHCSPPJ-UHFFFAOYSA-N
SMILES:
Br/C=C\1/OC(=O)C(C1)c1cccc2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.994g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.155g/mol
Monoisotopic Mass:
301.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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