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19897-64-4 | 3,9-Dioxabicyclo[4.2.1]nonane, 7-bromo-4-[(1S)-1-bromopropyl]-2-(2Z)-2-penten-4-ynyl-, (1S,2S,4R,6S,7S)-
CAS No: 19897-64-4 Catalog No: AG002BUA MDL No:
Product Description
Catalog Number:
AG002BUA
Chemical Name:
3,9-Dioxabicyclo[4.2.1]nonane, 7-bromo-4-[(1S)-1-bromopropyl]-2-(2Z)-2-penten-4-ynyl-, (1S,2S,4R,6S,7S)-
CAS Number:
19897-64-4
Molecular Formula:
C15H20Br2O2
Molecular Weight:
392.1261
IUPAC Name:
7-bromo-4-(1-bromopropyl)-2-[(E)-pent-2-en-4-ynyl]-3,9-dioxabicyclo[4.2.1]nonane
InChI:
InChI=1S/C15H20Br2O2/c1-3-5-6-7-12-15-8-11(17)14(19-15)9-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+
InChI Key:
FVHHRUHDUJVLNL-AATRIKPKSA-N
SMILES:
C#C/C=C\C[C@@H]1O[C@H](C[C@@H]2O[C@H]1C[C@@H]2Br)[C@H](CC)Br
NSC Number:
122225
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
391.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.131g/mol
Monoisotopic Mass:
389.983g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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