3-Bromo-2-methoxybenzonitrile - CAS 874472-98-7
Catalog: |
BB038458 |
Product Name: |
3-Bromo-2-methoxybenzonitrile |
CAS: |
874472-98-7 |
Synonyms: |
3-bromo-2-methoxybenzonitrile |
IUPAC Name: | 3-bromo-2-methoxybenzonitrile |
Description: | 3-Bromo-2-methoxybenzonitrile (CAS# 874472-98-7) is a useful research chemical. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | COC1=C(C=CC=C1Br)C#N |
InChI: | InChI=1S/C8H6BrNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3 |
InChI Key: | ONHVKHDUTPBVBT-UHFFFAOYSA-N |
MDL: | MFCD09834773 |
LogP: | 2.32938 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020260857-A1 | Hydroxamate compounds as antagonists of the adenosine a2a receptor | 20190613 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020112937-A1 | Tyk2 inhibitors and uses thereof | 20181130 |
AU-2017246455-A1 | Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
CA-3020287-A1 | Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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