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181214-43-7 | Benzene, (4,4-dibromo-3-buten-1-yn-1-yl)-
CAS No: 181214-43-7 Catalog No: AG0022R7 MDL No:
Product Description
Catalog Number:
AG0022R7
Chemical Name:
Benzene, (4,4-dibromo-3-buten-1-yn-1-yl)-
CAS Number:
181214-43-7
Molecular Formula:
C10H6Br2
Molecular Weight:
285.9626
IUPAC Name:
4,4-dibromobut-3-en-1-ynylbenzene
InChI:
InChI=1S/C10H6Br2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChI Key:
LVUBIZYRGOLKTP-UHFFFAOYSA-N
SMILES:
BrC(=CC#Cc1ccccc1)Br
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.882g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.966g/mol
Monoisotopic Mass:
283.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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