| CAS Number | 874357-11-6 |
| Catalog Number | AG01BUIQ(AGN-PC-0A5NPT) |
| Chemical Name | 1-BROMONAPHTHALENE-3-CARBOXALDEHYDE |
| IUPAC Name | 4-bromonaphthalene-2-carbaldehyde |
| InChI | InChI=1S/C11H7BrO/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-7H |
| InChI Key | XXBWXFQJIKOIKO-UHFFFAOYSA-N |
| MDL Number | MFCD18410725 |
| Molecular Formula | C11H7BrO |
| Molecular Weight | 235.0767 |
| SMILES | O=Cc1cc(Br)c2c(c1)cccc2 |
| Synonyms | 4-Bromo-2-naphthaldehyde,
874357-11-6,
SCHEMBL1775016,
4-Bromonaphthalene-2-carbaldehyde,
XXBWXFQJIKOIKO-UHFFFAOYSA-N,
4-bromonaphathalene-2-carbaldehyde,
4-bromo-naphthalene-2-carbaldehyde,
4-Bromonaphthalene-2-carboxaldehyde,
MFCD18410725,
ZINC79891553,
AKOS030632321,
FCH1373491,
AS-48871,
1-BROMONAPHTHALENE-3-CARBOXALDEHYDE,
AX8314010,
4-bromo-2-naphthoic acid,
1013-80-5,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.08g/mol |
| Monoisotopic Mass | 233.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number