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173382-69-9 | Benzene, 1,2-bis(3-bromo-1-propyn-1-yl)-
CAS No: 173382-69-9 Catalog No: AG001YUJ MDL No:
Product Description
Catalog Number:
AG001YUJ
Chemical Name:
Benzene, 1,2-bis(3-bromo-1-propyn-1-yl)-
CAS Number:
173382-69-9
Molecular Formula:
C12H8Br2
Molecular Weight:
311.9999
IUPAC Name:
1,2-bis(3-bromoprop-1-ynyl)benzene
InChI:
InChI=1S/C12H8Br2/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14/h1-2,5-6H,9-10H2
InChI Key:
BFWQMRPBPCARDC-UHFFFAOYSA-N
SMILES:
BrCC#Cc1ccccc1C#CCBr
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.897g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.004g/mol
Monoisotopic Mass:
309.899g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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