4-Bromobenzylmethylsulfone - CAS 213627-30-6
Catalog: |
BB072322 |
Product Name: |
4-Bromobenzylmethylsulfone |
CAS: |
213627-30-6 |
Synonyms: |
4-Bromobenzylmethylsulfone; 1-bromo-4-(methylsulfonylmethyl)benzene; 1-Bromo-4-((methylsulfonyl)methyl)benzene; 2-Methylnaphth1,2-doxazole; 4-bromobenzyl methyl sulfone |
IUPAC Name: | 1-bromo-4-(methylsulfonylmethyl)benzene |
Molecular Weight: | 249.13 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CS(=O)(=O)CC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C8H9BrO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
InChI Key: | CCSFLRBJHQPXFL-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 222 |
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: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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