| CAS Number | 1360616-77-8 |
| Catalog Number | AG0071ED(AGN-PC-0HSEF6) |
| Chemical Name | 5-Bromo-4-chloro-2-nitroanisole |
| IUPAC Name | 1-bromo-2-chloro-5-methoxy-4-nitrobenzene |
| InChI | InChI=1S/C7H5BrClNO3/c1-13-7-2-4(8)5(9)3-6(7)10(11)12/h2-3H,1H3 |
| InChI Key | KVUZPSBQIMNNOA-UHFFFAOYSA-N |
| MDL Number | MFCD22383655 |
| Molecular Formula | C7H5BrClNO3 |
| Molecular Weight | 266.4765 |
| SMILES | c1(c(cc(c(c1)Cl)Br)OC)[N+](=O)[O-] |
| Synonyms | 5-Bromo-4-chloro-2-nitroanisole,
1360616-77-8,
1-bromo-2-chloro-5-methoxy-4-nitrobenzene,
ACMC-209c56,
SCHEMBL12184224,
CTK8B0464,
DTXSID10738145,
KVUZPSBQIMNNOA-UHFFFAOYSA-N,
ANW-20008,
MFCD22383655,
ZINC85476975,
AKOS024438502,
AS-37368,
TC-108753,
1-Bromo-2-chloro-5-methoxy-4-nitro-benzene,
V2524,
B-8763,
C7H5BrClNO3,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.475g/mol |
| Monoisotopic Mass | 264.914g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^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-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number