4-Chloro-7-(methylsulfonyl)quinazoline - CAS 1256955-28-8

Catalog:	BB006232
Product Name:	4-Chloro-7-(methylsulfonyl)quinazoline
CAS:	1256955-28-8
Synonyms:	4-chloro-7-methylsulfonylquinazoline; 4-chloro-7-methylsulfonylquinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-7-methylsulfonylquinazoline
Description:	4-Chloro-7-(methylsulfonyl)quinazoline (CAS# 1256955-28-8 ) is a useful research chemical.
Molecular Weight:	242.68
Molecular Formula:	C9H7ClN2O2S
Canonical SMILES:	CS(=O)(=O)C1=CC2=C(C=C1)C(=NC=N2)Cl
InChI:	InChI=1S/C9H7ClN2O2S/c1-15(13,14)6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
InChI Key:	INGQXEVXIBNUJA-UHFFFAOYSA-N
LogP:	2.76750

Publication Number	Title	Priority Date
JP-2013544829-A	Benzoxazepine as an inhibitor of PI3K / mTOR and use and method of preparation thereof	20101124
KR-20130119950-A	Benxaxapine and its use and preparation methods as inhibitors of PI3K / mTOR	20101124
US-2014107100-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	20101124
EP-2640366-A2	Benzoxazepines as inhibitors of pi3k/mtor and methods of their use and manufacture	20101115
US-2014080810-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	20101115

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Complexity:	328
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.9916763
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.9916763
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7