| CAS Number | 149506-16-1 |
| Catalog Number | AG00ATG4(AGN-PC-041VZ6) |
| Chemical Name | 3-(4-bromophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 3-(4-bromophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO2/c12-10-3-1-7(2-4-10)8-5-9(6-8)11(13)14/h1-4,8-9H,5-6H2,(H,13,14) |
| InChI Key | UFECYRKDVGFGLA-UHFFFAOYSA-N |
| MDL Number | MFCD26632936 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | BrC1=CC=C(C=C1)C1CC(C1)C(=O)O |
| Synonyms | 149506-16-1,
3-(4-bromophenyl)cyclobutane-1-carboxylic acid,
3-(4-BROMOPHENYL)CYCLOBUTANECARBOXYLIC ACID,
SCHEMBL7273228,
DTXSID00633352,
UFECYRKDVGFGLA-UHFFFAOYSA-N,
MFCD26632936,
ZINC71257303,
AKOS023384399,
CS-W000492,
AS-48399,
FT-0738714,
Cyclobutanecarboxylic acid, 3-(4-bromophenyl)-,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.111g/mol |
| Monoisotopic Mass | 253.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number