| CAS Number | 82746-69-8 |
| Catalog Number | AG00G9P0(AGN-PC-0JUXZI) |
| Chemical Name | 2-(4-broMonaphthalen-1-yloxy)acetic acid |
| IUPAC Name | 2-(4-bromonaphthalen-1-yl)oxyacetic acid |
| InChI | InChI=1S/C12H9BrO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15) |
| InChI Key | HAGPEOVHVBDKNG-UHFFFAOYSA-N |
| MDL Number | MFCD03129269 |
| Molecular Formula | C12H9BrO3 |
| Molecular Weight | 281.1021 |
| SMILES | O=C(O)COC1=C2C=CC=CC2=C(Br)C=C1 |
| Synonyms | 2-((4-Bromonaphthalen-1-yl)oxy)acetic acid,
82746-69-8,
2-[(4-bromonaphthalen-1-yl)oxy]acetic acid,
2-(4-bromonaphthalen-1-yl)oxyacetic Acid,
AC1LEJ32,
ZINC54741,
DTXSID60350730,
2-(4-bromonaphthyloxy)acetic acid,
MFCD03129269,
STK090809,
AKOS002954765,
(4-bromo-[1]naphthyloxy)-acetic acid,
MCULE-7431971671,
AJ-09197,
ST035489,
[(4-bromonaphthalen-1-yl)oxy]acetic acid,
2-(4-broMonaphthalen-1-yloxy)acetic acid,
AX8215461,
CS-0060574,
CID687015,
2-((4-Bromophthalen-1-yl)oxy)acetic acid,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.105g/mol |
| Monoisotopic Mass | 279.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number