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89622-22-0 | 5-Hexadecen-9-yne, 16-bromo-, (E)-
CAS No: 89622-22-0 Catalog No: AG003X0A MDL No:
Product Description
Catalog Number:
AG003X0A
Chemical Name:
5-Hexadecen-9-yne, 16-bromo-, (E)-
CAS Number:
89622-22-0
Molecular Formula:
C16H27Br
Molecular Weight:
299.2896
IUPAC Name:
16-bromohexadec-5-en-9-yne
InChI:
InChI=1S/C16H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3
InChI Key:
HHZGMKKOCROKMP-UHFFFAOYSA-N
SMILES:
CCCC/C=C/CCC#CCCCCCCBr
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.296g/mol
Monoisotopic Mass:
298.13g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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