6-Chloro-1-isoindolinone - CAS 58083-59-3
Catalog: |
BB029923 |
Product Name: |
6-Chloro-1-isoindolinone |
CAS: |
58083-59-3 |
Synonyms: |
6-chloro-2,3-dihydroisoindol-1-one; 6-chloro-2,3-dihydroisoindol-1-one |
IUPAC Name: | 6-chloro-2,3-dihydroisoindol-1-one |
Description: | 6-Chloro-1-isoindolinone (CAS# 58083-59-3) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1C2=C(C=C(C=C2)Cl)C(=O)N1 |
InChI: | InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11) |
InChI Key: | VCEOKEOSVQLRNW-UHFFFAOYSA-N |
Density: | 1.362±0.06 g/cm3 (20 ℃ 760 Torr) |
LogP: | 1.91220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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