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190839-42-0 | Phosphonic acid, [amino(4-nitrophenyl)methyl]-, diphenyl ester (9CI)
CAS No: 190839-42-0 Catalog No: AG002EUB MDL No:
Product Description
Catalog Number:
AG002EUB
Chemical Name:
Phosphonic acid, [amino(4-nitrophenyl)methyl]-, diphenyl ester (9CI)
CAS Number:
190839-42-0
Molecular Formula:
C19H17N2O5P
Molecular Weight:
384.3224
IUPAC Name:
diphenoxyphosphoryl-(4-nitrophenyl)methanamine
InChI:
InChI=1S/C19H17N2O5P/c20-19(15-11-13-16(14-12-15)21(22)23)27(24,25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h1-14,19H,20H2
InChI Key:
ZBIKGGIABQCXCO-UHFFFAOYSA-N
SMILES:
NC(P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.328g/mol
Monoisotopic Mass:
384.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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