3-(Methylsulfonyl)benzyl Bromide - CAS 82657-76-9
Catalog: |
BB036872 |
Product Name: |
3-(Methylsulfonyl)benzyl Bromide |
CAS: |
82657-76-9 |
Synonyms: |
1-(bromomethyl)-3-methylsulfonylbenzene; 1-(bromomethyl)-3-methylsulfonylbenzene |
IUPAC Name: | 1-(bromomethyl)-3-methylsulfonylbenzene |
Description: | 3-(Methylsulfonyl)benzyl Bromide (CAS# 82657-76-9) is a useful research chemical. |
Molecular Weight: | 249.12 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)CBr |
InChI: | InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3 |
InChI Key: | JRXBZWXKAYJVRI-UHFFFAOYSA-N |
LogP: | 3.06580 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021069927-A1 | Prostaglandin ep4 receptor antagonist compounds | 20191009 |
WO-2020049017-A1 | 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives | 20180907 |
TW-202024076-A | 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives | 20180907 |
CN-112654396-A | 5-morpholin-4-yl-pyrazolo [4,3-b ] pyridine derivatives | 20180907 |
EP-3846904-A1 | 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives | 20180907 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95066 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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