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5-Chloro-2,3,3-trimethyl-3H-indole

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

Technical Data

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Patents

Computed Properties

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

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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

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