| CAS Number | 83636-46-8 |
| Catalog Number | AG00G8UQ(AGN-PC-0UP2SI) |
| Chemical Name | 2-(4-Bromo-phenyl)-propionic acid methyl ester |
| IUPAC Name | methyl 2-(4-bromophenyl)propanoate |
| InChI | InChI=1S/C10H11BrO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3 |
| InChI Key | KZWKRXZFJWFHSR-UHFFFAOYSA-N |
| MDL Number | MFCD18908971 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | CC(C1=CC=C(Br)C=C1)C(OC)=O |
| Synonyms | Methyl 2-(4-bromophenyl)propanoate,
83636-46-8,
2-(4-BroMo-phenyl)-propionic acid Methyl ester,
Methyl 2-(4'-bromophenyl)propanoate,
SCHEMBL5148090,
KZWKRXZFJWFHSR-UHFFFAOYSA-N,
AKOS026103965,
DA-02973,
FT-0712849,
2-(4-Bromophenyl)propionic acid methyl ester,
Z1555847790,
CID11032083,
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| Complexity | 174 |
| 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 |
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