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1443328-21-9 | 3-(4-n-Butoxy-3-chlorophenyl)-1-propene
CAS No: 1443328-21-9 Catalog No: AG01FCE3 MDL No:
Product Description
Catalog Number:
AG01FCE3
Chemical Name:
3-(4-n-Butoxy-3-chlorophenyl)-1-propene
CAS Number:
1443328-21-9
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
1-butoxy-2-chloro-4-prop-2-enylbenzene
InChI:
InChI=1S/C13H17ClO/c1-3-5-9-15-13-8-7-11(6-4-2)10-12(13)14/h4,7-8,10H,2-3,5-6,9H2,1H3
InChI Key:
CVHGZIDIYMHTAU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)CC=C
Properties
Complexity:
181
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:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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