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1443311-94-1 | 3-(4-iso-Butoxy-3-chlorophenyl)-1-propene
CAS No: 1443311-94-1 Catalog No: AG01FBNC MDL No:
Product Description
Catalog Number:
AG01FBNC
Chemical Name:
3-(4-iso-Butoxy-3-chlorophenyl)-1-propene
CAS Number:
1443311-94-1
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
2-chloro-1-(2-methylpropoxy)-4-prop-2-enylbenzene
InChI:
InChI=1S/C13H17ClO/c1-4-5-11-6-7-13(12(14)8-11)15-9-10(2)3/h4,6-8,10H,1,5,9H2,2-3H3
InChI Key:
FCZABPACVSVZGW-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(c(c1)Cl)OCC(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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