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101492-45-9 | Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, (1R,2S)-rel-
CAS No: 101492-45-9 Catalog No: AG0004MD MDL No:
Product Description
Catalog Number:
AG0004MD
Chemical Name:
Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, ethyl ester, (1R,2S)-rel-
CAS Number:
101492-45-9
Molecular Formula:
C14H16ClFO3
Molecular Weight:
286.7264
IUPAC Name:
ethyl (1R,2R)-2-chloro-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate
InChI:
InChI=1S/C14H16ClFO3/c1-3-18-11-7-5-10(6-8-11)13(9-14(13,15)16)12(17)19-4-2/h5-8H,3-4,9H2,1-2H3/t13-,14+/m1/s1
InChI Key:
AKJPWYUZNJADCA-KGLIPLIRSA-N
SMILES:
CCOc1ccc(cc1)[C@]1(C[C@]1(F)Cl)C(=O)OCC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.727g/mol
Monoisotopic Mass:
286.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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