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890097-72-0 | 4-(2-ACETOXYPHENYL)-2-CHLORO-1-BUTENE
CAS No: 890097-72-0 Catalog No: AG0044V1 MDL No:
Product Description
Catalog Number:
AG0044V1
Chemical Name:
4-(2-ACETOXYPHENYL)-2-CHLORO-1-BUTENE
CAS Number:
890097-72-0
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
IUPAC Name:
[2-(3-chlorobut-3-enyl)phenyl] acetate
InChI:
InChI=1S/C12H13ClO2/c1-9(13)7-8-11-5-3-4-6-12(11)15-10(2)14/h3-6H,1,7-8H2,2H3
InChI Key:
LNJXHLYVESVTJB-UHFFFAOYSA-N
SMILES:
ClC(=C)CCc1ccccc1OC(=O)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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