| CAS Number | 150007-16-2 |
| Catalog Number | AG00AQJ0(AGN-PC-0O41AA) |
| Chemical Name | 3-(BOC-Amino)phenyltetrazole |
| IUPAC Name | tert-butyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate |
| InChI | InChI=1S/C12H15N5O2/c1-12(2,3)19-11(18)13-9-6-4-5-8(7-9)10-14-16-17-15-10/h4-7H,1-3H3,(H,13,18)(H,14,15,16,17) |
| InChI Key | IEFVBCYIYGXQQU-UHFFFAOYSA-N |
| MDL Number | MFCD21170141 |
| Molecular Formula | C12H15N5O2 |
| Molecular Weight | 261.2798 |
| SMILES | O=C(OC(C)(C)C)Nc1cccc(c1)c1nnn[nH]1 |
| Synonyms | 3-(BOC-Amino)phenyltetrazole,
150007-16-2,
5-[3-(Boc-amino)phenyl]tetrazole,
ZINC83501969,
AKOS014476538,
SY038826,
MFCD21170141 (95%),
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.285g/mol |
| Monoisotopic Mass | 261.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number