| CAS Number | 341972-98-3 |
| Catalog Number | AG007H7O(AGN-PC-0KK69C) |
| Chemical Name | 5-Bromo-4-chloro-3-indoxyl palmitate |
| IUPAC Name | (5-bromo-4-chloro-1H-indol-3-yl) hexadecanoate |
| InChI | InChI=1S/C24H35BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(28)29-21-18-27-20-17-16-19(25)24(26)23(20)21/h16-18,27H,2-15H2,1H3 |
| InChI Key | FREDWHLFBOAXBQ-UHFFFAOYSA-N |
| MDL Number | MFCD00798390 |
| Molecular Formula | C24H35BrClNO2 |
| Molecular Weight | 484.8972 |
| SMILES | CCCCCCCCCCCCCCCC(OC1=CNC2=C1C(Cl)=C(Br)C=C2)=O |
| Synonyms | 341972-98-3,
5-Bromo-4-chloro-3-indoxyl palmitate,
5-Bromo-4-chloro-1H-indol-3-yl palmitate,
(5-bromo-4-chloro-1H-indol-3-yl) Hexadecanoate,
B-7414,
AC1MBZYK,
CTK8E6506,
DTXSID00370038,
5810AH,
MFCD00798390,
ZINC95713888,
5-Bromo-4-chloro-3-indolyl palmitate,
ACM341972983,
AK173282,
C24H35BrClNO2,
CID2733918,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 483.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 484.903g/mol |
| Monoisotopic Mass | 483.154g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number