| CAS Number | 31042-07-6 |
| Catalog Number | AG01EL9O |
| Chemical Name | 4-(4-Bromophenyl)pentanoic acid |
| IUPAC Name | 4-(4-bromophenyl)pentanoic acid |
| InChI | InChI=1S/C11H13BrO2/c1-8(2-7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3,(H,13,14) |
| InChI Key | UCJNBCAEPJOHDL-UHFFFAOYSA-N |
| MDL Number | MFCD09890862 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.1237 |
| NSC Number | 625600 |
| SMILES | CC(C1=CC=C(Br)C=C1)CCC(O)=O |
| Synonyms | 4-(4-Bromophenyl)pentanoic acid,
NSC625600,
31042-07-6,
AC1L7JZE,
4-(4-Bromophenyl)valeric acid,
AC1Q262G,
CHEMBL1987264,
CTK6A4856,
AKOS022197602,
NSC-625600,
NCI60_007976,
CID362077,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.127g/mol |
| Monoisotopic Mass | 256.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number