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1282582-98-2 | Benzene, 4-chloro-2-cyclohexyl-1-ethynyl-
CAS No: 1282582-98-2 Catalog No: AG000XWV MDL No:
Product Description
Catalog Number:
AG000XWV
Chemical Name:
Benzene, 4-chloro-2-cyclohexyl-1-ethynyl-
CAS Number:
1282582-98-2
Molecular Formula:
C14H15Cl
Molecular Weight:
218.7219
IUPAC Name:
4-chloro-2-cyclohexyl-1-ethynylbenzene
InChI:
InChI=1S/C14H15Cl/c1-2-11-8-9-13(15)10-14(11)12-6-4-3-5-7-12/h1,8-10,12H,3-7H2
InChI Key:
YGTBRFLAPSDESF-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1C1CCCCC1)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.724g/mol
Monoisotopic Mass:
218.086g/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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