| CAS Number | 1239838-17-5 |
| Catalog Number | AG000LB2(AGN-PC-08VL1K) |
| Chemical Name | 5-Bromo-4-chloro-2-methoxybenzonitrile |
| IUPAC Name | 5-bromo-4-chloro-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H5BrClNO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3 |
| InChI Key | WGNXNQOFUQIOKQ-UHFFFAOYSA-N |
| MDL Number | MFCD16873032 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.4884 |
| SMILES | COC1=C(C=C(Br)C(Cl)=C1)C#N |
| Synonyms | 5-Bromo-4-chloro-2-methoxybenzonitrile,
1239838-17-5,
ACMC-209aqe,
CTK8A9560,
DTXSID20678927,
ANW-18180,
MFCD16873032,
ZINC45957420,
AKOS005147231,
AM90030,
FCH1348642,
CJ-20545,
AJ-110595,
AX8240382,
Benzonitrile, 5-bromo-4-chloro-2-methoxy-,
TC-106925,
Z8741,
C8H5BrClNO,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.488g/mol |
| Monoisotopic Mass | 244.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^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