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1253202-35-5 | Benzoic acid, 4-methoxy-, (2R)-3-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl ester
CAS No: 1253202-35-5 Catalog No: AG000NH5 MDL No:
Product Description
Catalog Number:
AG000NH5
Chemical Name:
Benzoic acid, 4-methoxy-, (2R)-3-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl ester
CAS Number:
1253202-35-5
Molecular Formula:
C19H18ClF3O5
Molecular Weight:
418.7914
IUPAC Name:
[(2R)-3-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl] 4-methoxybenzoate
InChI:
InChI=1S/C19H18ClF3O5/c1-25-15-8-4-14(5-9-15)18(24)27-12-17(10-20)26-11-13-2-6-16(7-3-13)28-19(21,22)23/h2-9,17H,10-12H2,1H3/t17-/m0/s1
InChI Key:
MZTNEJYTZOHGNF-KRWDZBQOSA-N
SMILES:
ClC[C@H](OCc1ccc(cc1)OC(F)(F)F)COC(=O)c1ccc(cc1)OC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
418.079g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.793g/mol
Monoisotopic Mass:
418.079g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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