| CAS Number | 415724-26-4 |
| Catalog Number | AG01BJ2T |
| Chemical Name | {[4-(4-bromophenoxy)butyl]sulfanyl}carbonitrile |
| IUPAC Name | 4-(4-bromophenoxy)butyl thiocyanate |
| InChI | InChI=1S/C11H12BrNOS/c12-10-3-5-11(6-4-10)14-7-1-2-8-15-9-13/h3-6H,1-2,7-8H2 |
| InChI Key | QBGQCUWLGKNVQI-UHFFFAOYSA-N |
| MDL Number | MFCD00814918 |
| Molecular Formula | C11H12BrNOS |
| Molecular Weight | 286.1881 |
| SMILES | BrC1=CC=C(OCCCCSC#N)C=C1 |
| Synonyms | ([4-(4-bromophenoxy)butyl]sulfanyl)formonitrile,
4-(4-bromophenoxy)butyl thiocyanate,
415724-26-4,
CBMicro_019134,
AC1M36XS,
Cambridge id 5360942,
CCG-7353,
ZINC2880395,
MCULE-6395105683,
BIM-0019023.P001,
AB00082969-01,
ZINC02880395,
CID2232532,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.187g/mol |
| Monoisotopic Mass | 284.982g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number