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Home > Nitro Compounds > 19143-18-1
19143-18-1 | 4H-1,3,2-Benzodioxaphosphorin, 2-methoxy-6-nitro-, 2-sulfide
CAS No: 19143-18-1 Catalog No: AG002F9B MDL No:
Product Description
Catalog Number:
AG002F9B
Chemical Name:
4H-1,3,2-Benzodioxaphosphorin, 2-methoxy-6-nitro-, 2-sulfide
CAS Number:
19143-18-1
Molecular Formula:
C8H8NO5PS
Molecular Weight:
261.1916
IUPAC Name:
2-methoxy-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinine
InChI:
InChI=1S/C8H8NO5PS/c1-12-15(16)13-5-6-4-7(9(10)11)2-3-8(6)14-15/h2-4H,5H2,1H3
InChI Key:
VOYURRLYYZCFGG-UHFFFAOYSA-N
SMILES:
COP1(=S)OCc2c(O1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.188g/mol
Monoisotopic Mass:
260.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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