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(S)-2-(2-Chlorophenyl)oxirane

(S)-2-(2-Chlorophenyl)oxirane - CAS 141394-10-7

Catalog:	BB009174
Product Name:	(S)-2-(2-Chlorophenyl)oxirane
CAS:	141394-10-7
Synonyms:	(2S)-2-(2-chlorophenyl)oxirane; (2S)-2-(2-chlorophenyl)oxirane

Technical Data

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Computed Properties

IUPAC Name:	(2S)-2-(2-chlorophenyl)oxirane
Description:	(S)-2-(2-Chlorophenyl)oxirane (CAS# 141394-10-7) is used as a reagent to synthesize triazoles (e.g. T296320) and tetrazoles, compounds that act as anticonvulsants and could potentially be used to treat disorders such as ADHD, stroke and neurodegeneration.
Molecular Weight:	154.59
Molecular Formula:	C8H7ClO
Canonical SMILES:	C1C(O1)C2=CC=CC=C2Cl
InChI:	InChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChI Key:	RTPJBMWUVSTBPC-MRVPVSSYSA-N
LogP:	2.41130

Publication Number	Title	Priority Date
AU-2006237798-A1	Neurotherapeutic azole compounds	20050422
AU-2006237798-B2	Neurotherapeutic azole compounds	20050422
CA-2606258-A1	Neurotherapeutic azole compounds	20050422
CA-2606258-C	Neurotherapeutic azole compounds	20050422
EP-1879873-A1	Neurotherapeutic azole compounds	20050422

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0185425
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.0185425
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2