| CAS Number | 1379546-68-5 |
| Catalog Number | AG01BTCT |
| Chemical Name | tert-Butyl N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(4-bromophenyl)-2-hydroxyethyl]carbamate |
| InChI | InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17) |
| InChI Key | QFKIGDYLKNXDFN-UHFFFAOYSA-N |
| MDL Number | MFCD28148211 |
| Molecular Formula | C13H18BrNO3 |
| Molecular Weight | 316.1909 |
| SMILES | OC[C@@H](NC(=O)OC(C)(C)C)C1=CC=C(Br)C=C1 |
| Synonyms | 1557852-03-5,
tert-butyl N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate,
TERT-BUTYL N-[1-(4-BROMOPHENYL)-2-HYDROXYETHYL]CARBAMATE,
849178-85-4,
(R)-tert-Butyl (1-(4-bromophenyl)-2-hydroxyethyl)carbamate,
1379546-68-5,
tert-butyl (R)-(1-(4-bromophenyl)-2-hydroxyethyl)carbamate,
tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate,
SCHEMBL19580945,
MFCD24449879,
AKOS016053112,
AK676043,
BS-12619,
t-Butyl [1-(4-bromophenyl)-2-hydroxyethyl]carbamate,
tert-butyl [1-(4-bromophenyl)-2-hydroxyethyl]carbamate,
n-boc-1-(4-bromophenyl)-2-hydroxyethylamine,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.195g/mol |
| Monoisotopic Mass | 315.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number