| CAS Number | 750585-94-5 |
| Catalog Number | AG00GAJO(AGN-PC-0GX72Y) |
| Chemical Name | Methyl 2-bromo-3-formylbenzoate |
| IUPAC Name | methyl 2-bromo-3-formylbenzoate |
| InChI | InChI=1S/C9H7BrO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3 |
| InChI Key | CNQNIZZOOUMRHI-UHFFFAOYSA-N |
| MDL Number | MFCD11110489 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | BrC1=C(C(=O)OC)C=CC=C1C=O |
| Synonyms | methyl 2-bromo-3-formylbenzoate,
750585-94-5,
SCHEMBL2169605,
CNQNIZZOOUMRHI-UHFFFAOYSA-N,
MFCD11110489,
ZINC72191318,
AKOS015924602,
FCH1402686,
AS-44122,
DA-03683,
OR400756,
FT-0736648,
Z3238,
C9H7BrO3,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.056g/mol |
| Monoisotopic Mass | 241.958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number