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1810776-22-7 | 3-Chloro-4-(trifluoromethoxy)cinnamic acid
CAS No: 1810776-22-7 Catalog No: AG01FBDU MDL No:
Product Description
Catalog Number:
AG01FBDU
Chemical Name:
3-Chloro-4-(trifluoromethoxy)cinnamic acid
CAS Number:
1810776-22-7
Molecular Formula:
C10H6ClF3O3
Molecular Weight:
266.6010
IUPAC Name:
(E)-3-[3-chloro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6ClF3O3/c11-7-5-6(2-4-9(15)16)1-3-8(7)17-10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChI Key:
SCXWBICVJJGFSL-DUXPYHPUSA-N
SMILES:
OC(=O)/C=C/c1ccc(c(c1)Cl)OC(F)(F)F
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
265.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.6g/mol
Monoisotopic Mass:
265.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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