| CAS Number | 74533-21-4 |
| Catalog Number | AG005ARB(AGN-PC-0J0XZM) |
| Chemical Name | 2-(2,5-Dibromophenyl)acetonitrile |
| IUPAC Name | 2-(2,5-dibromophenyl)acetonitrile |
| InChI | InChI=1S/C8H5Br2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 |
| InChI Key | OWSYQAWIZWILQN-UHFFFAOYSA-N |
| MDL Number | MFCD11618143 |
| Molecular Formula | C8H5Br2N |
| Molecular Weight | 274.9400 |
| SMILES | BrC1=CC(CC#N)=C(Br)C=C1 |
| Synonyms | 2-(2,5-Dibromophenyl)acetonitrile,
74533-21-4,
2,5-DIBROMOPHENYLACETONITRILE,
(2,5-Dibromophenyl)acetonitrile,
CTK8C0636,
DTXSID20743442,
1577AC,
ANW-65004,
CL8957,
MFCD11618143,
ZINC85221369,
AKOS016005198,
ACN-052068,
FCH1405728,
AJ-126978,
AX8234752,
TC-153749,
C8H5Br2N,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.877g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.943g/mol |
| Monoisotopic Mass | 272.879g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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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