AG005DFU

788136-89-0 | 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

AG005DFU

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CAS Number	788136-89-0
Catalog Number	AG005DFU(AGN-PC-035SV6)
Chemical Name	4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
IUPAC Name	[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate
InChI	InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)
InChI Key	ANGPUOTYQQFHKN-UHFFFAOYSA-N
MDL Number	MFCD11618121
Molecular Formula	C17H13ClFN3O3
Molecular Weight	361.7548
SMILES	CC(OC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OC)=O
Synonyms	788136-89-0, 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate, 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate, AK-87714, C17H13ClFN3O3, zlchem 555, 6-Acetoxy-4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline hydrochloride, Gefitinib Impurity VIII, SCHEMBL3328655, CTK5E6138, KS-00000HVO, DTXSID40610743, ZLC0420, ANGPUOTYQQFHKN-UHFFFAOYSA-N, BCP12912, 2339AC, ANW-44574, MFCD11618121, ZINC44460331, AKOS015888738, ACM184475705, AN-27400, DS-18364, AB1006717, AJ-109719, AX8161459, TC-133319, 4CH-008735, AM20090609, FT-0083553, FT-0083554, FT-0651491, ST24028710, 136C890, A839500, I01-1258, 4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl acetate, [4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] acetate, 6-acetoxy-4-(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazoline, 6-Acetoxy-7-methoxy-4-(3-chloro-4-Fluorophenylamino)quinazoline, 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate, 6-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate, acetic acid [4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl] ester, [4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] ethanoate, 4-(3-chloro-4-fluorophenylamino)-6-Acetoxy -7-methoxyquinazoline Hydrochloride, Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate; 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate, 184475-70-5, 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ylacetate, 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride,

Complexity	472
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.063g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	361.757g/mol
Monoisotopic Mass	361.063g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	73.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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