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136612-81-2

136612-81-2 | Benzene, 1,1'-(1E)-1-buten-3-yne-1,4-diylbis[4-chloro-

CAS No: 136612-81-2 Catalog No: AG001257 MDL No:

Product Description

Catalog Number:
AG001257
Chemical Name:
Benzene, 1,1'-(1E)-1-buten-3-yne-1,4-diylbis[4-chloro-
CAS Number:
136612-81-2
Molecular Formula:
C16H10Cl2
Molecular Weight:
273.1566
IUPAC Name:
1-chloro-4-[4-(4-chlorophenyl)but-1-en-3-ynyl]benzene
InChI:
InChI=1S/C16H10Cl2/c17-15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(18)12-8-14/h1,3,5-12H
InChI Key:
XSDMORYYUPHIAL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)/C=C/C#Cc1ccc(cc1)Cl

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.016g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.156g/mol
Monoisotopic Mass:
272.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.8  

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