| CAS Number | 196610-38-5 |
| Catalog Number | AG00I3KT(AGN-PC-0BICSE) |
| Chemical Name | 3-Amino-4-fluorophenyl acetate |
| IUPAC Name | (3-amino-4-fluorophenyl) acetate |
| InChI | InChI=1S/C8H8FNO2/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3 |
| InChI Key | IZJQCRSSDTVVIA-UHFFFAOYSA-N |
| MDL Number | MFCD00083282 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | CC(=O)OC1=CC(N)=C(F)C=C1 |
| Synonyms | 3-Amino-4-fluorophenyl acetate,
196610-38-5,
(3-amino-4-fluorophenyl) acetate,
SCHEMBL15528067,
MFCD28099391,
ZINC95080238,
FCH2572265,
AS-33027,
AJ-132053,
AX8290434,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.155g/mol |
| Monoisotopic Mass | 169.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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