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124067-85-2 | Benzene, 1-[(4-chloro-2-butyn-1-yl)oxy]-2,4-dimethyl-
CAS No: 124067-85-2 Catalog No: AG000LIZ MDL No:
Product Description
Catalog Number:
AG000LIZ
Chemical Name:
Benzene, 1-[(4-chloro-2-butyn-1-yl)oxy]-2,4-dimethyl-
CAS Number:
124067-85-2
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
IUPAC Name:
1-(4-chlorobut-2-ynoxy)-2,4-dimethylbenzene
InChI:
InChI=1S/C12H13ClO/c1-10-5-6-12(11(2)9-10)14-8-4-3-7-13/h5-6,9H,7-8H2,1-2H3
InChI Key:
HQYKJKBOVOVXPN-UHFFFAOYSA-N
SMILES:
ClCC#CCOc1ccc(cc1C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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