2-Bromo-3-methylbenzonitrile - CAS 263159-64-4
Catalog: |
BB019236 |
Product Name: |
2-Bromo-3-methylbenzonitrile |
CAS: |
263159-64-4 |
Synonyms: |
2-bromo-3-methylbenzonitrile |
IUPAC Name: | 2-bromo-3-methylbenzonitrile |
Description: | 2-Bromo-3-methylbenzonitrile (CAS# 263159-64-4) is a useful research chemical. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | CC1=CC=CC(=C1Br)C#N |
InChI: | InChI=1S/C8H6BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3 |
InChI Key: | RNHZLKDKPMISMY-UHFFFAOYSA-N |
Appearance: | White to tan powder or crystals |
MDL: | MFCD09025664 |
LogP: | 2.62918 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
US-11104661-B1 | Inhibiting human integrin (α-4) (β-7) | 20191016 |
CN-110283126-A | A kind of arylpyrazole ester type compound and its synthetic method and application | 20190711 |
CN-110357893-A | A kind of arylpyrazoles compound and its synthetic method and application | 20190711 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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