| CAS Number | 174913-08-7 |
| Catalog Number | AG002021(AGN-PC-0WRA48) |
| Chemical Name | Benzene, 2-bromo-1-chloro-3-methoxy- |
| IUPAC Name | 2-bromo-1-chloro-3-methoxybenzene |
| InChI | InChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3 |
| InChI Key | OGIJEKWZHDJMSD-UHFFFAOYSA-N |
| MDL Number | MFCD18390300 |
| Molecular Formula | C7H6BrClO |
| Molecular Weight | 221.4789 |
| SMILES | BrC1=C(C=CC=C1Cl)OC |
| Synonyms | 2-BROMO-3-CHLOROANISOLE,
174913-08-7,
2-bromo-1-chloro-3-methoxybenzene,
chloro-bromoanisole,
SCHEMBL1981550,
MFCD18390300,
ZINC117696836,
AS03117,
Benzene, 2-bromo-1-chloro-3-methoxy-,
PS-11870,
2-Bromo-1-chloro-3-methoxy-benzene,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.478g/mol |
| Monoisotopic Mass | 219.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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UN Code
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Certificate of Analysis
Lot Number