| CAS Number | 423754-20-5 |
| Catalog Number | AG00C5YI(AGN-PC-0WB4FD) |
| Chemical Name | (2E)-3-(4-[(2-Fluorobenzyl)oxy]phenyl)acrylic acid |
| IUPAC Name | 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H13FO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19) |
| InChI Key | QISKGXAMXJUFSG-UHFFFAOYSA-N |
| MDL Number | MFCD02212698 |
| Molecular Formula | C16H13FO3 |
| Molecular Weight | 272.2710 |
| SMILES | C(O)(=O)/C=C/C1C=CC(=CC=1)OCC1C=CC=CC=1F |
| Synonyms | 423754-20-5,
3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic Acid,
(E)-3-(4-((2-Fluorobenzyl)oxy)phenyl)acrylic acid,
CHEMBRDG-BB 5972804,
AC1LGVXI,
CTK4I6134,
DTXSID80358117,
AKOS024143793,
MCULE-6332713031,
CID877687,
(2E)-3-{4-[(2-FLUOROBENZYL)OXY]PHENYL}ACRYLIC ACID,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.275g/mol |
| Monoisotopic Mass | 272.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number