| CAS Number | 141791-36-8 |
| Catalog Number | AG019V4N(AGN-PC-0LOUXA) |
| Chemical Name | 2-[(6-bromonaphthalen-2-yl)oxy]acetic acid |
| IUPAC Name | 2-(6-bromonaphthalen-2-yl)oxyacetic acid |
| InChI | InChI=1S/C12H9BrO3/c13-10-3-1-9-6-11(16-7-12(14)15)4-2-8(9)5-10/h1-6H,7H2,(H,14,15) |
| InChI Key | PYKIQIUJEIDVFD-UHFFFAOYSA-N |
| MDL Number | MFCD06260704 |
| Molecular Formula | C12H9BrO3 |
| Molecular Weight | 281.1021 |
| SMILES | OC(COC1=CC2=C(C=C(C=C2)Br)C=C1)=O |
| Synonyms | 2-[(6-bromonaphthalen-2-yl)oxy]acetic acid,
141791-36-8,
2-(6-bromonaphthalen-2-yl)oxyacetic Acid,
2-(6-bromonaphthalen-2-yloxy)acetic acid,
AC1NQWX9,
AC1Q766Y,
SCHEMBL7422807,
CTK7J5502,
PYKIQIUJEIDVFD-UHFFFAOYSA-N,
ZINC21955709,
AKOS000127978,
MCULE-7040453305,
NE13144,
2-(6-Bromonapthalen-2-yloxy)acetic acid,
EN300-43725,
AB00998925-01,
[(6-bromo-2-naphthyl)oxy]acetic acid, AldrichCPR,
Z65585408,
CID5230058,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number