AG005G4D

769158-12-5 | 2-Chloro-6-fluoroquinazolin-4(3H)-one

AG005G4D

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CAS Number	769158-12-5
Catalog Number	AG005G4D(AGN-PC-0142CI)
Chemical Name	2-Chloro-6-fluoroquinazolin-4(3H)-one
IUPAC Name	2-chloro-6-fluoro-3H-quinazolin-4-one
InChI	InChI=1S/C8H4ClFN2O/c9-8-11-6-2-1-4(10)3-5(6)7(13)12-8/h1-3H,(H,11,12,13)
InChI Key	CBHYEOLZQCLMSY-UHFFFAOYSA-N
MDL Number	MFCD11520685
Molecular Formula	C8H4ClFN2O
Molecular Weight	198.5816
SMILES	OC1=C2C(C=CC(=C2)F)=NC(Cl)=N1
Synonyms	2-chloro-6-fluoroquinazolin-4(3H)-one, 769158-12-5, AK102613, 4(3H)-Quinazolinone, 2-chloro-6-fluoro-, 2-chloro-6-fluoroquinazolin-, PubChem14301, SCHEMBL578429, CTK2H5442, DTXSID60586537, KS-00000Q9L, ANW-61971, MFCD11520685, ZINC26899537, AKOS006324513, MP-0976, 2-chloro-6-fluoro-3H-quinazolin-4-one, 2-Chloro-6-fluoroquinazolin-4(1H)-one, 2-chloro-6-fluoroquinazolin- 4(3H)-one, AJ-83293, AS-30793, SC-22816, AB0032898, AX8234152, DB-075209, 4CH-011929, A9744, FT-0684313, X6335, 2-CHLORO-6-FLUORO-1H-QUINAZOLIN-4-ONE, 2-CHLORO-6-FLUORO-4(3H)-QUINAZOLINONE, Q76125, I14-8540, C8H4ClFN2O, 2-CHLORO-6-FLUOROQUINAZOLINE, CB11537, 2-CHLORO-6-FLUOROQUINAZOLIN-4 -ONE,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.581g/mol
Monoisotopic Mass	198g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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