| CAS Number | 446305-66-4 |
| Catalog Number | AG018GR5(AGN-PC-0RT595) |
| Chemical Name | Boc-2-amino-2-(3-bromophenyl)acetic acid |
| IUPAC Name | 2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C13H16BrNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17) |
| InChI Key | ZHAAYALRXSZQLX-UHFFFAOYSA-N |
| MDL Number | MFCD07388845 |
| Molecular Formula | C13H16BrNO4 |
| Molecular Weight | 330.1744 |
| SMILES | CC(C)(OC(NC(C(O)=O)C1=CC(Br)=CC=C1)=O)C |
| Synonyms | 446305-66-4,
(3-bromophenyl)[(tert-butoxycarbonyl)amino]acetic acid,
2-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acid,
boc-(s)-2-amino-2-(3-bromophenyl)acetic acid,
2-(3-bromophenyl)-2-{[(tert-butoxy)carbonyl]amino}acetic acid,
1228570-43-1,
boc-(r)-2-amino-2-(3-bromophenyl)acetic acid,
SCHEMBL2919373,
ZHAAYALRXSZQLX-UHFFFAOYSA-N,
MFCD07388845,
AKOS013464685,
MCULE-9158720345,
L-2882,
(3-bromophenyl)-tert.butoxycarbonylamino-acetic acid,
(3-Bromo-phenyl)-tert-butoxycarbonylamino-acetic acid,
F2147-0613,
Z1200998591,
2-(3-Bromophenyl)-2-((t-butoxycarbonyl)amino)acetic acid,
Boc-2-amino-2-(3-bromophenyl)acetic acid,
209680-89-7,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.178g/mol |
| Monoisotopic Mass | 329.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number