2-Bromo-1-chloro-3-methoxybenzene - CAS 174913-08-7
Catalog: |
BB071855 |
Product Name: |
2-Bromo-1-chloro-3-methoxybenzene |
CAS: |
174913-08-7 |
Synonyms: |
2-bromo-1-chloro-3-methoxybenzene; 2-BROMO-3-CHLOROANISOLE; chloro-bromoanisole; Benzene, 2-bromo-1-chloro-3-methoxy- |
IUPAC Name: | 2-bromo-1-chloro-3-methoxybenzene |
Description: | 2-Bromo-1-chloro-3-methoxybenzene |
Molecular Weight: | 221.47 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | COC1=C(C(=CC=C1)Cl)Br |
InChI: | InChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3 |
InChI Key: | OGIJEKWZHDJMSD-UHFFFAOYSA-N |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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