| CAS Number | 55394-81-5 |
| Catalog Number | AG00DL62(AGN-PC-0SJ1VH) |
| Chemical Name | 3-(4-Bromophenyl)propanoyl chloride |
| IUPAC Name | 3-(4-bromophenyl)propanoyl chloride |
| InChI | InChI=1S/C9H8BrClO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2 |
| InChI Key | QDDFDICITFVSCB-UHFFFAOYSA-N |
| MDL Number | MFCD12031744 |
| Molecular Formula | C9H8BrClO |
| Molecular Weight | 247.5162 |
| SMILES | C(CCC1=CC=C(C=C1)Br)(Cl)=O |
| Synonyms | 3-(4-bromophenyl)propanoyl chloride,
55394-81-5,
SCHEMBL594085,
QDDFDICITFVSCB-UHFFFAOYSA-N,
Benzenepropanoyl chloride, 4-bromo-,
3-(4-Bromophenyl)propionyl chloride,
AKOS032958206,
ZINC114174174,
AM87063,
FCH1409607,
Z-2836,
ACN-042158,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.516g/mol |
| Monoisotopic Mass | 245.945g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number