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198767-44-1 | 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2-phenyl-, 2-sulfide
CAS No: 198767-44-1 Catalog No: AG002BPX MDL No:
Product Description
Catalog Number:
AG002BPX
Chemical Name:
4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2-phenyl-, 2-sulfide
CAS Number:
198767-44-1
Molecular Formula:
C13H10NO2PS
Molecular Weight:
275.2628
IUPAC Name:
2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzoxazaphosphinin-4-one
InChI:
InChI=1S/C13H10NO2PS/c15-13-11-8-4-5-9-12(11)16-17(18,14-13)10-6-2-1-3-7-10/h1-9H,(H,14,15,18)
InChI Key:
UIKQQIMEJQAVGS-UHFFFAOYSA-N
SMILES:
O=C1NP(=S)(Oc2c1cccc2)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.262g/mol
Monoisotopic Mass:
275.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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