| CAS Number | 1013-80-5 |
| Catalog Number | AG00046S(AGN-PC-0WCYF1) |
| Chemical Name | 2-Naphthalenecarboxylic acid, 4-bromo- |
| IUPAC Name | 4-bromonaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C11H7BrO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14) |
| InChI Key | MSWOSGXPFKDJRE-UHFFFAOYSA-N |
| MDL Number | MFCD18410726 |
| Molecular Formula | C11H7BrO2 |
| Molecular Weight | 251.0761 |
| SMILES | O=C(C1=CC(Br)=C2C=CC=CC2=C1)O |
| Synonyms | 4-bromo-2-naphthoic acid,
1013-80-5,
4-bromonaphthalene-2-carboxylic acid,
2-Naphthalenecarboxylic acid, 4-bromo-,
SCHEMBL6617677,
MFCD18410726,
ZINC142101342,
AK224194,
Ethyl 4-bromo-2-naphthoate,
1261624-11-6,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.079g/mol |
| Monoisotopic Mass | 249.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number