| CAS Number | 28313-42-0 |
| Catalog Number | AG00I5BD(AGN-PC-0JOVXE) |
| Chemical Name | Di-tert-butyl terephthalate |
| IUPAC Name | ditert-butyl benzene-1,4-dicarboxylate |
| InChI | InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-7-9-12(10-8-11)14(18)20-16(4,5)6/h7-10H,1-6H3 |
| InChI Key | JAIQCFIFVNAAAY-UHFFFAOYSA-N |
| MDL Number | MFCD22417253 |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.3435 |
| NSC Number | 243185 |
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)(C)C |
| Synonyms | Di-tert-butyl terephthalate,
28313-42-0,
terephthalic acid di-tert-butyl ester,
NSC243185,
ditert-butyl benzene-1,4-dicarboxylate,
di-t-butylterephthalate,
Di-t-butyl terephthalate,
AC1L7SXW,
SCHEMBL109451,
DTXSID10311432,
JAIQCFIFVNAAAY-UHFFFAOYSA-N,
1,4-di(tert-butyl) terephthalate,
ZINC1764335,
MFCD22417253,
AKOS027252746,
NSC-243185,
CID316007,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.348g/mol |
| Monoisotopic Mass | 278.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number