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26122-94-1 | 3-Penten-1-yne, 5-bromo-, (3E)-
CAS No: 26122-94-1 Catalog No: AG002RRH MDL No:
Product Description
Catalog Number:
AG002RRH
Chemical Name:
3-Penten-1-yne, 5-bromo-, (3E)-
CAS Number:
26122-94-1
Molecular Formula:
C5H5Br
Molecular Weight:
144.9972
IUPAC Name:
5-bromopent-3-en-1-yne
InChI:
InChI=1S/C5H5Br/c1-2-3-4-5-6/h1,3-4H,5H2
InChI Key:
DTEFNNCAKDJTRT-UHFFFAOYSA-N
SMILES:
BrC/C=C/C#C
Properties
Complexity:
83.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.957g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.999g/mol
Monoisotopic Mass:
143.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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