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117020-58-3 | Propanoic acid, 2-[4-(4-bromo-2-fluorophenoxy)phenoxy]-, (R)- (9CI)
CAS No: 117020-58-3 Catalog No: AG000DKG MDL No:
Product Description
Catalog Number:
AG000DKG
Chemical Name:
Propanoic acid, 2-[4-(4-bromo-2-fluorophenoxy)phenoxy]-, (R)- (9CI)
CAS Number:
117020-58-3
Molecular Formula:
C15H12BrFO4
Molecular Weight:
355.1558
IUPAC Name:
(2R)-2-[4-(4-bromo-2-fluorophenoxy)phenoxy]propanoic acid
InChI:
InChI=1S/C15H12BrFO4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChI Key:
DOFUZRKNFDPVLG-SECBINFHSA-N
SMILES:
OC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cc1F)Br)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
353.99g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.159g/mol
Monoisotopic Mass:
353.99g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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