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1218-13-9 | Dithiophosphoric acid O,O-dimethyl S-[(2-oxo-3(2H)-benzoxazolyl)methyl] ester
CAS No: 1218-13-9 Catalog No: AG00AGDZ MDL No:
Product Description
Catalog Number:
AG00AGDZ
Chemical Name:
Dithiophosphoric acid O,O-dimethyl S-[(2-oxo-3(2H)-benzoxazolyl)methyl] ester
CAS Number:
1218-13-9
IUPAC Name:
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C10H12NO4PS2/c1-13-16(17,14-2)18-7-11-8-5-3-4-6-9(8)15-10(11)12/h3-6H,7H2,1-2H3
InChI Key:
BUYSMFTYOZPNHJ-UHFFFAOYSA-N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.303g/mol
Monoisotopic Mass:
304.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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