| CAS Number | 1408075-52-4 |
| Catalog Number | AG001CTV(AGN-PC-0WBRIN) |
| Chemical Name | 1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate |
| InChI | InChI=1S/C10H18BrNO2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7H2,1-4H3 |
| InChI Key | AIQVICNBUVBHFX-UHFFFAOYSA-N |
| MDL Number | MFCD23106024 |
| Molecular Formula | C10H18BrNO2 |
| Molecular Weight | 264.1594 |
| SMILES | O=C(N1CC(C)(CBr)C1)OC(C)(C)C |
| Synonyms | 1408075-52-4,
tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate,
1-Boc-3-bromomethyl-3-methylazetidine,
SCHEMBL20137006,
MFCD23106024,
ZINC95743203,
AKOS025396157,
FCH2311228,
PB37223,
SB20737,
KS-000007J2,
1-Boc-3-(Bromomethyl)-3-methylazetidine,
AK173753,
AS-51800,
CS-0048368,
Q-4780,
tert-Butyl 3-(bromomethyl)-3-methyl-azetidine-1-carboxylate,
1-Azetidinecarboxylic acid, 3-(bromomethyl)-3-methyl-, 1,1-dimethylethyl ester,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.163g/mol |
| Monoisotopic Mass | 263.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number