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1289385-42-7 | 3-Azetidinecarboxylic acid, 1-[(2-chloro-6-fluorophenyl)methyl]-, (2-chloro-6-fluorophenyl)methyl ester
CAS No: 1289385-42-7 Catalog No: AG000YKI MDL No:
Product Description
Catalog Number:
AG000YKI
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(2-chloro-6-fluorophenyl)methyl]-, (2-chloro-6-fluorophenyl)methyl ester
CAS Number:
1289385-42-7
Molecular Formula:
C18H15Cl2F2NO2
Molecular Weight:
386.2200
IUPAC Name:
(2-chloro-6-fluorophenyl)methyl 1-[(2-chloro-6-fluorophenyl)methyl]azetidine-3-carboxylate
InChI:
InChI=1S/C18H15Cl2F2NO2/c19-14-3-1-5-16(21)12(14)9-23-7-11(8-23)18(24)25-10-13-15(20)4-2-6-17(13)22/h1-6,11H,7-10H2
InChI Key:
YLEFLRUQJVERJA-UHFFFAOYSA-N
SMILES:
O=C(C1CN(C1)Cc1c(F)cccc1Cl)OCc1c(F)cccc1Cl
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.045g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.22g/mol
Monoisotopic Mass:
385.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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