5-Chloro-2,3,3-trimethyl-3H-indole - CAS 25981-83-3
Catalog: |
BB019096 |
Product Name: |
5-Chloro-2,3,3-trimethyl-3H-indole |
CAS: |
25981-83-3 |
Synonyms: |
5-chloro-2,3,3-trimethylindole; 5-chloro-2,3,3-trimethylindole |
IUPAC Name: | 5-chloro-2,3,3-trimethylindole |
Description: | 5-Chloro-2,3,3-trimethyl-3H-indole (CAS# 25981-83-3) is a useful research chemical. |
Molecular Weight: | 193.67 |
Molecular Formula: | C11H12ClN |
Canonical SMILES: | CC1=NC2=C(C1(C)C)C=C(C=C2)Cl |
InChI: | InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3 |
InChI Key: | GSKATGIMEUGNJN-UHFFFAOYSA-N |
Boiling Point: | 271.1 °C at 760 mmHg |
Density: | 1.083 g/mL at 25°C(lit.) |
MDL: | MFCD00126966 |
LogP: | 3.15920 |
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: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0658271 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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