| CAS Number | 1184653-06-2 |
| Catalog Number | AG01A8UW(AGN-PC-0WO723) |
| Chemical Name | 3-[(1,3-thiazol-4-yl)methoxy]aniline |
| IUPAC Name | 3-(1,3-thiazol-4-ylmethoxy)aniline |
| InChI | InChI=1S/C10H10N2OS/c11-8-2-1-3-10(4-8)13-5-9-6-14-7-12-9/h1-4,6-7H,5,11H2 |
| InChI Key | IVIGYIAJQZNTTG-UHFFFAOYSA-N |
| MDL Number | MFCD12823160 |
| Molecular Formula | C10H10N2OS |
| Molecular Weight | 206.2642 |
| SMILES | NC1=CC(OCC2N=CSC=2)=CC=C1 |
| Synonyms | 3-(1,3-thiazol-4-ylmethoxy)aniline,
1184653-06-2,
AC1Q51RI,
ZINC38054819,
AKOS010264846,
NE38773,
EN300-62627,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.263g/mol |
| Monoisotopic Mass | 206.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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