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13667-12-4 | Benzene, 1-bromo-4-(2-phenylethynyl)-
CAS No: 13667-12-4 Catalog No: AG00127M MDL No:MFCD01596910
Product Description
Catalog Number:
AG00127M
Chemical Name:
Benzene, 1-bromo-4-(2-phenylethynyl)-
CAS Number:
13667-12-4
Molecular Formula:
C14H9Br
Molecular Weight:
257.1253
MDL Number:
MFCD01596910
IUPAC Name:
1-bromo-4-(2-phenylethynyl)benzene
InChI:
InChI=1S/C14H9Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChI Key:
XLHCHVUFUPJPEO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C#Cc1ccccc1
NSC Number:
155340
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.13g/mol
Monoisotopic Mass:
255.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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