| CAS Number | 330793-13-0 |
| Catalog Number | AG00I6DS(AGN-PC-03U1R1) |
| Chemical Name | 2-(4-Bromophenoxy)benzonitrile |
| IUPAC Name | 2-(4-bromophenoxy)benzonitrile |
| InChI | InChI=1S/C13H8BrNO/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H |
| InChI Key | QTPCNKOBARGZNB-UHFFFAOYSA-N |
| MDL Number | MFCD10564769 |
| Molecular Formula | C13H8BrNO |
| Molecular Weight | 274.1127 |
| SMILES | BrC1=CC=C(OC2=CC=CC=C2C#N)C=C1 |
| Synonyms | 2-(4-bromophenoxy)benzonitrile,
330793-13-0,
SCHEMBL6871605,
QTPCNKOBARGZNB-UHFFFAOYSA-N,
Benzonitrile, 2-(4-bromophenoxy)-,
MFCD10564769,
ZINC20077506,
AKOS000262212,
MCULE-3524218428,
Z127013488,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.117g/mol |
| Monoisotopic Mass | 272.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number