AG00IA22

56287-74-2 | 4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-

AG00IA22

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CAS Number	56287-74-2
Catalog Number	AG00IA22(AGN-PC-0JK63N)
Chemical Name	4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-
IUPAC Name	6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
InChI	InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
InChI Key	VDOSWXIDETXFET-UHFFFAOYSA-N
MDL Number	MFCD00867693
Molecular Formula	C16H14FN3O
Molecular Weight	283.3003
SMILES	O=C1N(C2=CC=CC=C2C)C(CF)=NC3=C1C=C(N)C=C3
UNII	CO4U2C8ORZ
Synonyms	afloqualone, afloqualone, 56287-74-2, Arofuto, Aroft, Afloqualon, Afloqualone [INN:JAN], UNII-CO4U2C8ORZ, Afloqualonum [INN-Latin], Afloqualona [INN-Spanish], HQ 495, HQ-495, CO4U2C8ORZ, 4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-, BRN 0819769, C16H14FN3O, 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-chinazolinon, 6-Amino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone, 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-quinazolin-4-one, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one, 6-Amino-3,4-dihydro-2-fluoromethyl-3-(2-methylphenyl)-4-chinazolinon, 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-quinazolinone, Afloqualona, Afloqualonum, 4(3H)-Quinazolinone, 6-amino-2-fluoromethyl-3-(o-tolyl)-, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-4-quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one, 6-amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3H)-one, Airomate (TN), AC1L1CSF, DSSTox_CID_2562, Afloqualone (JP17/INN), DSSTox_RID_76631, DSSTox_GSID_22562, MLS006010086, SCHEMBL400184, CHEMBL2105918, DTXSID5022562, CHEBI:31177, CTK7C2916, KS-00001FCF, VDOSWXIDETXFET-UHFFFAOYSA-N, BCP13264, HY-B1833, Tox21_112447, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-Quinazolinone, MFCD00867693, ZINC13831145, AKOS015842375, AC-1608, API0005402, CS-5009, AN-14777, AS-11726, BC220564, CC-22409, EN000605, SMR004701231, AB1011452, CAS-56287-74-2, LS-140303, FT-0653844, D01638, J10242, A830986, C-35026, I06-2070, 6-amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4-one, 2-fluoromethyl-3-(o-tolyl)-6-amino-4(3H)-quinazolinone, 6-amino-2-(fluoromethyl)-3-o-tolylquinazolin-4(3H)-one, 4(3H)-Quinazolinone,6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-, 6-azanyl-2-(fluoranylmethyl)-3-(2-methylphenyl)quinazolin-4-one, 4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)- (9CI), null, CID2040, C16-H14-F-N3-O, NCGC00167443-01, A2043, 1,2,3,4-tetrahydrobenzofuro[2,3-c]pyridine, 5-25-15-00102 (Beilstein Handbook Reference), 1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE, C033541, 106792-29-4,

Complexity	439
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.112g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.306g/mol
Monoisotopic Mass	283.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number