| CAS Number | 870535-27-6 |
| Catalog Number | AG00IEBZ(AGN-PC-0WNGGC) |
| Chemical Name | tert-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 4-chloro-2-(hydroxymethyl)indole-1-carboxylate |
| InChI | InChI=1S/C14H16ClNO3/c1-14(2,3)19-13(18)16-9(8-17)7-10-11(15)5-4-6-12(10)16/h4-7,17H,8H2,1-3H3 |
| InChI Key | MJELCIINMGHXDG-UHFFFAOYSA-N |
| MDL Number | MFCD30489086 |
| Molecular Formula | C14H16ClNO3 |
| Molecular Weight | 281.7347 |
| SMILES | ClC1=C2C=C(N(C2=CC=C1)C(=O)OC(C)(C)C)CO |
| Synonyms | 870535-27-6,
tert-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate,
SCHEMBL19013557,
KS-00000TVO,
MFCD30489086,
AKOS030524100,
ZINC584906610,
AK548974,
DS-19476,
t-Butyl 4-chloro-2-(hydroxymethyl)-1H-indole-1-carboxylate,
TERT-BUTYL 4-CHLORO-2-(HYDROXYMETHYL)INDOLE-1-CARBOXYLATE,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.736g/mol |
| Monoisotopic Mass | 281.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number