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139777-42-7 | Benzoic acid, 4-ethenyl-, 2-chloroethyl ester
CAS No: 139777-42-7 Catalog No: AG001BP9 MDL No:
Product Description
Catalog Number:
AG001BP9
Chemical Name:
Benzoic acid, 4-ethenyl-, 2-chloroethyl ester
CAS Number:
139777-42-7
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
2-chloroethyl 4-ethenylbenzoate
InChI:
InChI=1S/C11H11ClO2/c1-2-9-3-5-10(6-4-9)11(13)14-8-7-12/h2-6H,1,7-8H2
InChI Key:
LLBXKUXVMKCUMC-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)c1ccc(cc1)C=C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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