AG00HACV

1044766-09-7 | 5-(2-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one

AG00HACV

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CAS Number	1044766-09-7
Catalog Number	AG00HACV(AGN-PC-0WAMQY)
Chemical Name	5-(2-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
IUPAC Name	5-(2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
InChI	InChI=1S/C8H5FN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChI Key	GRLMQTZJXSLUBV-UHFFFAOYSA-N
MDL Number	MFCD11046702
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	C1=CC=C(C(=C1)C2=NN=C(O)O2)F
Synonyms	5-(2-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one, 1044766-09-7, 5-(2-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one, SCHEMBL18394900, KS-00000OKB, DTXSID80647891, MFCD11046702, ODC100003, ZINC38538359, AKOS013464091, AJ-96301, AK-43552, DS-14194, ACN-025859, 2-methyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole, 2-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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