| CAS Number | 398489-42-4 |
| Catalog Number | AG00I7TL(AGN-PC-0WBRKU) |
| Chemical Name | Tert-Butyl 3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C9H14F3NO3/c1-7(2,3)16-6(14)13-4-8(15,5-13)9(10,11)12/h15H,4-5H2,1-3H3 |
| InChI Key | JNDWDWDLVLVLHA-UHFFFAOYSA-N |
| MDL Number | MFCD17480496 |
| Molecular Formula | C9H14F3NO3 |
| Molecular Weight | 241.2076 |
| SMILES | O=C(N1CC(C(F)(F)F)(O)C1)OC(C)(C)C |
| Synonyms | tert-butyl 3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxylate,
398489-42-4,
SCHEMBL3506743,
JNDWDWDLVLVLHA-UHFFFAOYSA-N,
KS-000005PK,
MFCD17480496,
ZINC57219021,
AKOS012863436,
NE23495,
SB13488,
AS-39723,
CS-0048288,
FT-0696147,
1-Boc-3-Hydroxy-3-(trifluoromethyl)azetidine,
EN300-89728,
J-524546,
1-2 weeks,
AC1Q1MX1,
RL03524,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.092578g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.21g/mol |
| Monoisotopic Mass | 241.092578g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number