| CAS Number | 1228570-47-5 |
| Catalog Number | AG009ZJK(AGN-PC-0WNGHH) |
| Chemical Name | (2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-BROMOPHENYL)ACETIC ACID |
| IUPAC Name | (2R)-2-(4-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)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1 |
| InChI Key | HFPMULXPVQWEJG-SNVBAGLBSA-N |
| MDL Number | MFCD07371736 |
| Molecular Formula | C13H16BrNO4 |
| Molecular Weight | 330.1744 |
| SMILES | O=C(O)[C@@H](C1=CC=C(Br)C=C1)NC(OC(C)(C)C)=O |
| Synonyms | (2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-BROMOPHENYL)ACETIC ACID,
1228570-47-5,
ZINC2527621,
MFCD07371736,
AKOS030632857,
AB32814,
AJ-38095,
DS-19588,
(R)-2-(4-Bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acid,
(R)-2-(4-bromophenyl)-2-(tert-butoxycarbonylamino)acetic acid,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number