| CAS Number | 249647-28-7 |
| Catalog Number | AG002Q0I(AGN-PC-0WD60E) |
| Chemical Name | Benzeneacetonitrile, 3-bromo-4-chloro- |
| IUPAC Name | 2-(3-bromo-4-chlorophenyl)acetonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2 |
| InChI Key | MHPCTXBOVJTCKT-UHFFFAOYSA-N |
| MDL Number | MFCD18390588 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | N#CCC1=CC=C(Cl)C(Br)=C1 |
| Synonyms | 249647-28-7,
2-(3-Bromo-4-chlorophenyl)acetonitrile,
(3-Bromo-4-chloro-phenyl)-acetonitrile,
Benzeneacetonitrile, 3-bromo-4-chloro-,
SCHEMBL1006491,
DTXSID00444763,
ZINC34457555,
(3-bromo-4-chlorophenyl)acetonitrile,
FCH1369306,
FS-4283,
AJ-88691,
AX8287741,
CID10775840,
2-(3-bromo-4-chloro-phenyl)acetonitrile,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.489g/mol |
| Monoisotopic Mass | 228.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number