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832744-18-0 | Benzene, 1-bromo-2-[(2-chlorophenyl)ethynyl]-
CAS No: 832744-18-0 Catalog No: AG004XH8 MDL No:
Product Description
Catalog Number:
AG004XH8
Chemical Name:
Benzene, 1-bromo-2-[(2-chlorophenyl)ethynyl]-
CAS Number:
832744-18-0
Molecular Formula:
C14H8BrCl
Molecular Weight:
291.5703
IUPAC Name:
1-bromo-2-[2-(2-chlorophenyl)ethynyl]benzene
InChI:
InChI=1S/C14H8BrCl/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H
InChI Key:
AUUNGDWQHRUHQT-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C#Cc1ccccc1Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.572g/mol
Monoisotopic Mass:
289.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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