AG0004M7

101494-95-5 | 8-Chloroquinazolin-4(3h)-one

AG0004M7

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CAS Number	101494-95-5
Catalog Number	AG0004M7(AGN-PC-0NBJ5S)
Chemical Name	8-Chloroquinazolin-4(3h)-one
IUPAC Name	8-chloro-3H-quinazolin-4-one
InChI	InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key	JWLJDRWZFALRKE-UHFFFAOYSA-N
MDL Number	MFCD09954861
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	OC1=C2C=CC=C(Cl)C2=NC=N1
Synonyms	8-CHLOROQUINAZOLIN-4-OL, 101494-95-5, 8-CHLOROQUINAZOLIN-4(3H)-ONE, 8-chloro-3,4-dihydroquinazolin-4-one, 8-CHLOROQUINAZOLIN-4(1H)-ONE, CHEMBL1949855, 4(3H)-Quinazolinone, 8-chloro-, 8-chloro-1H-quinazolin-4-one, Kinome_3256, SCHEMBL2447579, SCHEMBL8974755, CTK8C3815, CTK8G4345, DTXSID30445662, JWLJDRWZFALRKE-UHFFFAOYSA-N, ANW-70578, BDBM50365147, MFCD09954861, ZINC26894419, AKOS006337101, MB08808, NE43075, AJ-82829, AK-46801, BS-11829, AB1010316, TC-159323, ST24024570, Z1901070897, 8-Chloro-4(3H)-quinazolinone, ACN-038509, CID10845104, N/A,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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