4-Chloro-6-methylquinazoline - CAS 58421-79-7

Catalog:	BB030036
Product Name:	4-Chloro-6-methylquinazoline
CAS:	58421-79-7
Synonyms:	4-chloro-6-methylquinazoline; 4-chloro-6-methylquinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-methylquinazoline
Description:	4-Chloro-6-methylquinazoline (CAS# 58421-79-7) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C9H7ClN2
Canonical SMILES:	CC1=CC2=C(C=C1)N=CN=C2Cl
InChI:	InChI=1S/C9H7ClN2/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3
InChI Key:	XNILKVADCMYCQT-UHFFFAOYSA-N
MDL:	MFCD03665203
LogP:	2.59160

Publication Number	Title	Priority Date
CN-112300141-A	Quinazoline-containing myricetin derivative, and preparation method and application thereof	20201012
US-2020109141-A1	Amino acid compounds and methods of use	20181008
TW-202028179-A	Amino acid compounds and methods of use	20181008
CN-113195053-A	Amino acid compounds and methods of use	20181008
KR-20210101205-A	Amino Acid Compounds and Methods of Use	20181008

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0297759
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9