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141380-75-8 | Phosphonic acid, P-[(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester
CAS No: 141380-75-8 Catalog No: AG001GBX MDL No:
Product Description
Catalog Number:
AG001GBX
Chemical Name:
Phosphonic acid, P-[(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester
CAS Number:
141380-75-8
Molecular Formula:
C15H17N2O5P
Molecular Weight:
336.2796
IUPAC Name:
N-[dimethoxyphosphoryl-(4-nitrophenyl)methyl]aniline
InChI:
InChI=1S/C15H17N2O5P/c1-21-23(20,22-2)15(16-13-6-4-3-5-7-13)12-8-10-14(11-9-12)17(18)19/h3-11,15-16H,1-2H3
InChI Key:
DRMKQTHRBPDLFD-UHFFFAOYSA-N
SMILES:
COP(=O)(C(c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1)OC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.284g/mol
Monoisotopic Mass:
336.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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