| CAS Number | 626603-27-8 |
| Catalog Number | AG00EQAV(AGN-PC-05FHRO) |
| Chemical Name | 1-(4-bromophenyl)cyclohexane-1-carbonitrile |
| IUPAC Name | 1-(4-bromophenyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C13H14BrN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2 |
| InChI Key | FQJKOWLQDAJQIW-UHFFFAOYSA-N |
| MDL Number | MFCD11036805 |
| Molecular Formula | C13H14BrN |
| Molecular Weight | 264.1610 |
| SMILES | BrC1=CC=C(C2(C#N)CCCCC2)C=C1 |
| Synonyms | 1-(4-bromophenyl)cyclohexanecarbonitrile,
626603-27-8,
1-(4-bromophenyl)cyclohexane-1-carbonitrile,
J-503256,
SCHEMBL6209121,
ALBB-023532,
ZX-AN022046,
MFCD11036805,
SBB071640,
ZINC20429390,
AKOS003405002,
MCULE-1921959096,
RL04382,
1-(4- Bromophenyl)cyclohexanecarbonitrile,
AS-42190,
Cyclohexanecarbonitrile, 1-(4-bromophenyl)-,
ST45026704,
EN300-208282,
Z2412196615,
T1358,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.166g/mol |
| Monoisotopic Mass | 263.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number