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Home > Nitro Compounds > 63980-97-2
63980-97-2 | [α,β-Thio]diphosphoric acid α,β,β-trimethyl α-(p-nitrophenyl) ester
CAS No: 63980-97-2 Catalog No: AG00F6K7 MDL No:
Product Description
Catalog Number:
AG00F6K7
Chemical Name:
[α,β-Thio]diphosphoric acid α,β,β-trimethyl α-(p-nitrophenyl) ester
CAS Number:
63980-97-2
IUPAC Name:
1-[dimethoxyphosphorylsulfanyl(methoxy)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C9H13NO8P2S/c1-15-19(13,16-2)21-20(14,17-3)18-9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3
InChI Key:
YPXVCFLCSXAIFK-UHFFFAOYSA-N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.984g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.21g/mol
Monoisotopic Mass:
356.984g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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