4-(Bromomethyl)-3-chlorobenzonitrile - CAS 21924-83-4
Catalog: |
BB017207 |
Product Name: |
4-(Bromomethyl)-3-chlorobenzonitrile |
CAS: |
21924-83-4 |
Synonyms: |
4-(bromomethyl)-3-chlorobenzonitrile; 4-(bromomethyl)-3-chlorobenzonitrile |
IUPAC Name: | 4-(bromomethyl)-3-chlorobenzonitrile |
Description: | 4-(Bromomethyl)-3-chlorobenzonitrile (CAS# 21924-83-4) is a useful research chemical. |
Molecular Weight: | 230.49 |
Molecular Formula: | C8H5BrClN |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Cl)CBr |
InChI: | InChI=1S/C8H5BrClN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2 |
InChI Key: | OWKYKQSLKAJOBT-UHFFFAOYSA-N |
LogP: | 3.10658 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 20200116 |
WO-2021143792-A1 | Piperidine compound, preparation method therefor and medical use thereof | 20200116 |
US-2021171531-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021113682-A1 | Masp-2 inhibitors and methods of use | 20191204 |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.92939 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.92939 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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