| CAS Number | 787576-32-3 |
| Catalog Number | AG00ICZ0(AGN-PC-0WCZD5) |
| Chemical Name | Methyl 2-((4-bromophenyl)(tert-butoxycarbonyl)amino)acetate |
| IUPAC Name | methyl 2-[4-bromo-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetate |
| InChI | InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(18)16(9-12(17)19-4)11-7-5-10(15)6-8-11/h5-8H,9H2,1-4H3 |
| InChI Key | WYVNWDDWNLKSDL-UHFFFAOYSA-N |
| MDL Number | MFCD18083560 |
| Molecular Formula | C14H18BrNO4 |
| Molecular Weight | 344.2010 |
| SMILES | COC(=O)CN(c1ccc(cc1)Br)C(=O)OC(C)(C)C |
| Synonyms | Methyl 2-((4-bromophenyl)(tert-butoxycarbonyl)amino)acetate,
787576-32-3,
(4-BROMOPHENYL)-TERT-BUTOXYCARBONYLAMINOACETIC ACID METHYL ESTER,
SCHEMBL3503827,
WYVNWDDWNLKSDL-UHFFFAOYSA-N,
1003AC,
ANW-63473,
MFCD18083560,
ZINC36377930,
AKOS015889828,
AJ-92685,
AX8045569,
TC-152218,
4CH-021675,
I01-3890,
[(4-bromo-phenyl)-tert-butoxycarbonyl-amino]-acetic acid methyl ester,
C14H18BrNO4,
709665-73-6,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.205g/mol |
| Monoisotopic Mass | 343.042g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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