Name: Name:Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester
Brand: Angene
SKU: AG0027EA
Rating: 90 (10 reviews)

Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester

CAS No.:

1832-64-0

Catalog Number:

AG0027EA

Molecular Formula:

C7H7NO5P-

Molecular Weight:

216.1079

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Product Description

Catalog Number:

AG0027EA

Chemical Name:

Phosphonic acid, P-methyl-, mono(4-nitrophenyl) ester

CAS Number:

1832-64-0

Molecular Formula:

C7H7NO5P-

Molecular Weight:

216.1079

IUPAC Name:

methyl-(4-nitrophenoxy)phosphinate

InChI:

InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)/p-1

InChI Key:

VJPXTXIEAOSJBR-UHFFFAOYSA-M

SMILES:

[O-][N+](=O)c1ccc(cc1)OP(=O)(C)[O-]

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.006g/mol

Formal Charge:

-1

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.109g/mol

Monoisotopic Mass:

216.006g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Crystal structure of the complex of a catalytic antibody Fab fragment with a transition state analog: structural similarities in esterase-like catalytic antibodies.	Proceedings of the National Academy of Sciences of the United States of America 19951205