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188943-77-3 | 2(3H)-Furanone, 3-(4-bromophenyl)dihydro-5-(iodomethyl)-, (3R,5S)-rel-
CAS No: 188943-77-3 Catalog No: AG002HKB MDL No:
Product Description
Catalog Number:
AG002HKB
Chemical Name:
2(3H)-Furanone, 3-(4-bromophenyl)dihydro-5-(iodomethyl)-, (3R,5S)-rel-
CAS Number:
188943-77-3
Molecular Formula:
C11H10BrIO2
Molecular Weight:
381.0044
IUPAC Name:
(3R,5S)-3-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
InChI:
InChI=1S/C11H10BrIO2/c12-8-3-1-7(2-4-8)10-5-9(6-13)15-11(10)14/h1-4,9-10H,5-6H2/t9-,10+/m0/s1
InChI Key:
BQAPBGFSAOOMQF-VHSXEESVSA-N
SMILES:
IC[C@@H]1C[C@@H](C(=O)O1)c1ccc(cc1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
379.891g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.007g/mol
Monoisotopic Mass:
379.891g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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