| CAS Number | 944470-56-8 |
| Catalog Number | AG00II6F(AGN-PC-0WOKUI) |
| Chemical Name | (S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-[(2S)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate |
| InChI | InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-5-4-6-11(15)7-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1 |
| InChI Key | HFOFNJNYQFXYDX-LBPRGKRZSA-N |
| MDL Number | MFCD28359279 |
| Molecular Formula | C14H20FNO3 |
| Molecular Weight | 269.3119 |
| SMILES | O=C(OC(C)(C)C)N[C@H](CO)CC1=CC=CC(F)=C1 |
| Synonyms | (S)-tert-Butyl (1-(3-fluorophenyl)-3-hydroxypropan-2-yl)carbamate,
944470-56-8,
SCHEMBL10324438,
tert-butyl N-[(2S)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate,
HFOFNJNYQFXYDX-LBPRGKRZSA-N,
MFCD28359279,
ZINC73836644,
AKOS027335668,
AS-48515,
tert-butyl[(1S)-1-(3-fluorobenzyl)-2-hydroxyethyl]carbamate,
[(S)-2-(3-fluoro-phenyl)-1-hydroxymethyl-ethyl]carbamic acid tert-butyl ester,
1,1-dimethylethyl [(1S)-2-(3-fluorophenyl)-1-(hydroxymethyl)ethyl]carbamate,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.316g/mol |
| Monoisotopic Mass | 269.143g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P264-P270-P301+P312-P330
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UN Code
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Certificate of Analysis
Lot Number