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101492-39-1 | Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-, cyano(3-phenoxyphenyl)methyl ester
CAS No: 101492-39-1 Catalog No: AG0004MF MDL No:
Product Description
Catalog Number:
AG0004MF
Chemical Name:
Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-, cyano(3-phenoxyphenyl)methyl ester
CAS Number:
101492-39-1
Molecular Formula:
C26H22ClNO4
Molecular Weight:
447.9102
IUPAC Name:
[cyano-(3-phenoxyphenyl)methyl] 2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C26H22ClNO4/c1-2-30-20-13-11-19(12-14-20)26(16-24(26)27)25(29)32-23(17-28)18-7-6-10-22(15-18)31-21-8-4-3-5-9-21/h3-15,23-24H,2,16H2,1H3
InChI Key:
QFBDISZZQLAZMT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C1(CC1Cl)C(=O)OC(c1cccc(c1)Oc1ccccc1)C#N
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.124g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.915g/mol
Monoisotopic Mass:
447.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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