| CAS Number | 875664-25-8 |
| Catalog Number | AG00IEOT(AGN-PC-0WAMYW) |
| Chemical Name | 4-Bromo-2-phenoxybenzonitrile |
| IUPAC Name | 4-bromo-2-phenoxybenzonitrile |
| InChI | InChI=1S/C13H8BrNO/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-8H |
| InChI Key | WFMNRTXOZNBDSV-UHFFFAOYSA-N |
| MDL Number | MFCD13193389 |
| Molecular Formula | C13H8BrNO |
| Molecular Weight | 274.1127 |
| SMILES | BrC1=CC=C(C#N)C(=C1)OC1C=CC=CC=1 |
| Synonyms | 4-Bromo-2-phenoxybenzonitrile,
875664-25-8,
AK-30944,
SCHEMBL490118,
4-Bromo-2-phenoxy-benzonitrile,
DTXSID40726414,
WFMNRTXOZNBDSV-UHFFFAOYSA-N,
KS-00000R8Y,
MFCD13193389,
ZINC95093316,
AKOS016000664,
DS-1606,
MP-0234,
CJ-22666,
AJ-132411,
AX8248305,
BC4716123,
ST2418180,
4CH-012397,
Z5239,
C13H8BrNO,
|
| Complexity | 266 |
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number