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23346-40-9 | 1,5-Cyclooctadiene, 3-bromo-
CAS No: 23346-40-9 Catalog No: AG002MX0 MDL No:
Product Description
Catalog Number:
AG002MX0
Chemical Name:
1,5-Cyclooctadiene, 3-bromo-
CAS Number:
23346-40-9
Molecular Formula:
C8H11Br
Molecular Weight:
187.0769
IUPAC Name:
3-bromocycloocta-1,5-diene
InChI:
InChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h2,4-5,7-8H,1,3,6H2
InChI Key:
XQQKELZZZRWNHG-UHFFFAOYSA-N
SMILES:
BrC1CC=CCCC=C1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.08g/mol
Monoisotopic Mass:
186.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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