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125553-07-3 | Phosphonic acid, P-[amino(2,4-dichlorophenyl)methyl]-
CAS No: 125553-07-3 Catalog No: AG000NTQ MDL No:
Product Description
Catalog Number:
AG000NTQ
Chemical Name:
Phosphonic acid, P-[amino(2,4-dichlorophenyl)methyl]-
CAS Number:
125553-07-3
Molecular Formula:
C7H8Cl2NO3P
Molecular Weight:
256.0231
IUPAC Name:
[amino-(2,4-dichlorophenyl)methyl]phosphonic acid
InChI:
InChI=1S/C7H8Cl2NO3P/c8-4-1-2-5(6(9)3-4)7(10)14(11,12)13/h1-3,7H,10H2,(H2,11,12,13)
InChI Key:
QXOFDXPCBBHAHP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(P(=O)(O)O)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.019g/mol
Monoisotopic Mass:
254.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Effectiveness and mode of action of phosphonate inhibitors of plant glutamine synthetase. | Pest management science 20100101 |
| Tailoring the structure of aminobisphosphonates to target plant P5C reductase. | Journal of agricultural and food chemistry 20080514 |
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