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Home > Fluorides > 1017777-31-9
1017777-31-9 | 2-Fluoro-5-(trifluoromethoxy)cinnamic acid
CAS No: 1017777-31-9 Catalog No: AG01FB4T MDL No:
Product Description
Catalog Number:
AG01FB4T
Chemical Name:
2-Fluoro-5-(trifluoromethoxy)cinnamic acid
CAS Number:
1017777-31-9
Molecular Formula:
C10H6F4O3
Molecular Weight:
250.1465
IUPAC Name:
(E)-3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H6F4O3/c11-8-3-2-7(17-10(12,13)14)5-6(8)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
InChI Key:
RVZNXJFJLLKTIY-DAFODLJHSA-N
SMILES:
OC(=O)/C=C/c1cc(ccc1F)OC(F)(F)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
250.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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