1-Iodo-3-(methylsulfonyl)benzene - CAS 139769-20-3
Catalog: |
BB008983 |
Product Name: |
1-Iodo-3-(methylsulfonyl)benzene |
CAS: |
139769-20-3 |
Synonyms: |
1-iodo-3-methylsulfonylbenzene; 1-iodo-3-methylsulfonylbenzene |
IUPAC Name: | 1-iodo-3-methylsulfonylbenzene |
Description: | 1-Iodo-3-(methylsulfonyl)benzene (CAS# 139769-20-3 ) is a useful research chemical. |
Molecular Weight: | 282.10 |
Molecular Formula: | C7H7IO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC(=CC=C1)I |
InChI: | InChI=1S/C7H7IO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3 |
InChI Key: | XTSLBDJQPAYELB-UHFFFAOYSA-N |
LogP: | 0.00000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.92115 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.92115 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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