AG003MRL

13451-79-1 | 5-Fluorobenzo[d]oxazol-2(3H)-one

AG003MRL

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CAS Number	13451-79-1
Catalog Number	AG003MRL(AGN-PC-0JP9BK)
Chemical Name	5-Fluorobenzo[d]oxazol-2(3H)-one
IUPAC Name	5-fluoro-3H-1,3-benzoxazol-2-one
InChI	InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key	KXMRAGBOYTUYGL-UHFFFAOYSA-N
MDL Number	MFCD08059539
Molecular Formula	C7H4FNO2
Molecular Weight	153.1106
NSC Number	146763
SMILES	O=C1OC2=CC=C(F)C=C2N1
Synonyms	13451-79-1, 5-Fluorobenzo[d]oxazol-2(3H)-one, 5-Fluoro-1,3-benzoxazol-2(3H)-one, 5-Fluoro-2(3H)-benzoxazolone, 5-fluoro-3H-1,3-benzoxazol-2-one, 5-Fluoro-3H-benzooxazol-2-one, CHEMBL101266, 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone,5-fluoro-, 2-benzoxazolol, 5-fluoro-, NSC146763, ACMC-20am3n, AC1Q4OAZ, 5-fluoro-benzoxazol-2-one, 5-Fluoro-2-benzoxazolinone, 5-Fluorobenzoxazolin-2-one, AC1L66VG, SCHEMBL244162, 5-Fluoro-3H-benzoxazol-2-one, 5-Fluorobenzoxazol-2(3H)-one, CTK4B9228, KS-00000SFR, DTXSID50301852, KXMRAGBOYTUYGL-UHFFFAOYSA-N, 5-fluoro-3-hydrobenzoxazol-2-one, 5-Fluoro-2-hydroxybenzo[d]oxazole, ZINC1728885, BDBM50290804, EBD177944, MFCD08059539, SBB086882, AKOS011655126, 5-Fluoro-2(3H)-benzoxazolone, 96%, DS-9112, NSC-146763, 5-fluoranyl-3H-1,3-benzoxazol-2-one, 5-Fluoro-2,3-dihydrobenzoxazole-2-one, AJ-31164, AK157798, BP-13411, SY101449, TC-168314, CS-0038220, Z9761, MFCD08059539 (96%), A-8554, A806789, J-006548, Z1889710358, C7H4FNO2, AR-1D9062, CID287208, 13482-10-5,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.023g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.112g/mol
Monoisotopic Mass	153.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number