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189099-57-8 | Benzene, 1-bromo-4-[2-(4-methoxyphenyl)ethynyl]-
CAS No: 189099-57-8 Catalog No: AG002HV3 MDL No:
Product Description
Catalog Number:
AG002HV3
Chemical Name:
Benzene, 1-bromo-4-[2-(4-methoxyphenyl)ethynyl]-
CAS Number:
189099-57-8
Molecular Formula:
C15H11BrO
Molecular Weight:
287.1512
IUPAC Name:
1-bromo-4-[2-(4-methoxyphenyl)ethynyl]benzene
InChI:
InChI=1S/C15H11BrO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,1H3
InChI Key:
WSCVGHDLWWDZQX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#Cc1ccc(cc1)Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.156g/mol
Monoisotopic Mass:
285.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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