1-Bromo-2-(difluoromethyl)-4-methoxybenzene - CAS 1214329-81-3
Catalog: |
BB005141 |
Product Name: |
1-Bromo-2-(difluoromethyl)-4-methoxybenzene |
CAS: |
1214329-81-3 |
Synonyms: |
1-bromo-2-(difluoromethyl)-4-methoxybenzene; 1-bromo-2-(difluoromethyl)-4-methoxybenzene |
IUPAC Name: | 1-bromo-2-(difluoromethyl)-4-methoxybenzene |
Description: | 1-Bromo-2-(difluoromethyl)-4-methoxybenzene (CAS# 1214329-81-3) is a useful research chemical. |
Molecular Weight: | 237.04 |
Molecular Formula: | C8H7BrF2O |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)C(F)F |
InChI: | InChI=1S/C8H7BrF2O/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,8H,1H3 |
InChI Key: | RHSFDVRQELWSHQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.39530 |
Publication Number | Title | Priority Date |
US-8389511-B2 | Bicyclic heterocyclic derivative | 20071219 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.96483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.96483 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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