| CAS Number | 80622-53-3 |
| Catalog Number | AG00GAL9(AGN-PC-0UHC2A) |
| Chemical Name | Methyl 2-(3-bromophenyl)propanoate |
| IUPAC Name | methyl 2-(3-bromophenyl)propanoate |
| InChI | InChI=1S/C10H11BrO2/c1-7(10(12)13-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3 |
| InChI Key | IQJQUAGEAURVAU-UHFFFAOYSA-N |
| MDL Number | MFCD18908974 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CC(C1=CC=CC(Br)=C1)C(OC)=O |
| Synonyms | methyl 2-(3-bromophenyl)propanoate,
80622-53-3,
SCHEMBL1133808,
MFCD18908974,
AK174035,
2-(3-Bromophenyl)propanoic acid methyl ester,
J3.605.894C,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number