AG003BKL

111160-56-6 | Diphenyl (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonate

AG003BKL

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CAS Number	111160-56-6
Catalog Number	AG003BKL(AGN-PC-0NFWG4)
Chemical Name	Diphenyl (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonate
IUPAC Name	3-diphenoxyphosphoryl-1,3-benzoxazole-2-thione
InChI	InChI=1S/C19H14NO4PS/c21-25(23-15-9-3-1-4-10-15,24-16-11-5-2-6-12-16)20-17-13-7-8-14-18(17)22-19(20)26/h1-14H
InChI Key	POSVXIWJQXSIIP-UHFFFAOYSA-N
MDL Number	MFCD00142793
Molecular Formula	C19H14NO4PS
Molecular Weight	383.3575
SMILES	S=C1OC2=CC=CC=C2N1P(OC3=CC=CC=C3)(OC4=CC=CC=C4)=O
Synonyms	111160-56-6, Diphenyl (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonate, (2,3-Dihydro-2-thioxo-3-benzoxazolyl)phosphonic Acid Diphenyl Ester, 3-Diphenoxyphosphoryl-1,3-benzoxazole-2-thione, J-500556, diphenyl(2,3-dihydro-2-thioxo-3-benzoxazolyl)phosphonate, ACMC-20998m, SCHEMBL1305382, CTK4A7208, DTXSID00455233, ZINC2512321, ANW-16244, MFCD00142793, AKOS015856593, RL00455, RTR-002229, AB1011428, TR-002229, D2038, FT-0604575, KS-00001337, I14-94691, (2-Thioxobenzoxazole-3-yl)phosphonic acid diphenyl ester, Diphenyl (2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)phosphonate, Phosphonic acid,P-(2-thioxo-3(2H)-benzoxazolyl)-, diphenyl ester, CID11101020, 3-diphenoxyphosphorylbenzooxazole-2-thione, (2,3-Dihydro-2-thioxo-3-benzoxazolyl) phosphonic acid diphenyl ester,

Complexity	524
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.038g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	383.358g/mol
Monoisotopic Mass	383.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	80.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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