| CAS Number | 1393585-20-0 |
| Catalog Number | AG00IL4C(AGN-PC-0WRB52) |
| Chemical Name | 3-(4-Bromophenyl)oxetane-3-carboxylic acid |
| IUPAC Name | 3-(4-bromophenyl)oxetane-3-carboxylic acid |
| InChI | InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)10(9(12)13)5-14-6-10/h1-4H,5-6H2,(H,12,13) |
| InChI Key | XHLYQWDVGGDALC-UHFFFAOYSA-N |
| MDL Number | MFCD22544050 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | BrC1=CC=C(C=C1)C1(COC1)C(=O)O |
| Synonyms | 3-(4-BROMOPHENYL)OXETANE-3-CARBOXYLIC ACID,
1393585-20-0,
SCHEMBL12988917,
MFCD22544050,
ZINC76696591,
AB77083,
FCH2290680,
AS-43739,
OR312082,
CS-0051746,
FT-0716848,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.083g/mol |
| Monoisotopic Mass | 255.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number