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Home > Nitro Compounds > 88276-24-8
88276-24-8 | Phosphoramidothioic acid, (1-methylpropyl)-, O-ethyl O-(5-methoxy-2-nitrophenyl) ester
CAS No: 88276-24-8 Catalog No: AG0049VG MDL No:
Product Description
Catalog Number:
AG0049VG
Chemical Name:
Phosphoramidothioic acid, (1-methylpropyl)-, O-ethyl O-(5-methoxy-2-nitrophenyl) ester
CAS Number:
88276-24-8
Molecular Formula:
C13H21N2O5PS
Molecular Weight:
348.3550
IUPAC Name:
N-[ethoxy-(5-methoxy-2-nitrophenoxy)phosphinothioyl]butan-2-amine
InChI:
InChI=1S/C13H21N2O5PS/c1-5-10(3)14-21(22,19-6-2)20-13-9-11(18-4)7-8-12(13)15(16)17/h7-10H,5-6H2,1-4H3,(H,14,22)
InChI Key:
AZJXGMXMBNUASK-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1cc(OC)ccc1[N+](=O)[O-])NC(CC)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.354g/mol
Monoisotopic Mass:
348.091g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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