1-Bromo-10,12-pentacosadiyne

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Catalog Number
ACM94598320
Product Name
1-Bromo-10,12-pentacosadiyne
Structure
Structure
CAS
94598-32-0
Category
Heterocyclic Organic Compound
IUPAC Name
1-bromopentacosa-10,12-diyne
Molecular Weight
423.5g/mol
Molecular Formula
C25H43Br
Canonical SMILES
CCCCCCCCCCCCC#CC#CCCCCCCCCCBr
InChI
InChI=1S/C25H43Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h2-12,17-25H2,1H3
InChI Key
NUDHYRYEPCJLCL-UHFFFAOYSA-N
Complexity
397
Covalently-Bonded Unit Count
1
Exact Mass
422.25481g/mol
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
26
Monoisotopic Mass
422.25481g/mol
Rotatable Bond Count
19
XLogP3
11.7
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