AG00BZMY

32306-29-9 | PHOSPHORIC ACID DIETHYL ESTER 5-PHENYL-ISOXAZOL-3-YL ESTER

AG00BZMY

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CAS Number	32306-29-9
Catalog Number	AG00BZMY(AGN-PC-0JPK7P)
Chemical Name	PHOSPHORIC ACID DIETHYL ESTER 5-PHENYL-ISOXAZOL-3-YL ESTER
IUPAC Name	diethyl (5-phenyl-1,2-oxazol-3-yl) phosphate
InChI	InChI=1S/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI Key	VLBRWDJSOHOVGF-UHFFFAOYSA-N
MDL Number	MFCD01705560
Molecular Formula	C13H16NO5P
Molecular Weight	297.2436
SMILES	P(=O)(OC1(=NOC(=C1)C2(=CC=CC=C2)))(OCC)OCC
Synonyms	32306-29-9, Isoxathion oxon, Diethyl (5-phenylisoxazol-3-yl) phosphate, Isoxathion-oxon, Phosphoric acid diethyl ester 5-phenyl-isoxazol-3-yl ester, Phosphoric acid diethyl ester 5-phenylisoxazol-3-yl ester, Isoxa oxon, Diethyl 5-phenyl-3-isoxazolyl phosphate, CCRIS 7779, diethyl (5-phenyl-1,2-oxazol-3-yl) phosphate, Phosphoric acid, diethyl 5-phenyl-3-isoxazolyl ester, AK-46380, diethyl 5-phenyl-1,2-oxazol-3-yl phosphate, Q-102361, C13H16NO5P, KALPHOSOX, AC1L4D7R, Phosphoricaciddiethylester5-phenyl-isoxazol-3-ylester, CTK8E8184, KS-00000GGB, DTXSID30186043, VLBRWDJSOHOVGF-UHFFFAOYSA-N, ACT05143, ZINC5859732, CI-446, MFCD01705560, AKOS015843673, AS06774, DS-1663, ACM32306299, diethyl 5-phenylisoxazol-3-yl phosphate, AJ-55098, BR-46380, CJ-12783, AB0006146, AX8135440, LS-107734, TC-060974, 4CH-007403, A5800, FT-0630228, ST24030328, W5414, S-4343, 306I299, ISOXATHIONOXON, Bis(trichloromethyl) carbonate, C13-H16-N-O5-P, CID154897,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.077g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.247g/mol
Monoisotopic Mass	297.077g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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