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6961-37-1 | o-Benzenedicarbamicacid, 4-arsono-, 1,2-dipropyl ester (8CI)
CAS No: 6961-37-1 Catalog No: AG005JYZ MDL No:
Product Description
Catalog Number:
AG005JYZ
Chemical Name:
o-Benzenedicarbamicacid, 4-arsono-, 1,2-dipropyl ester (8CI)
CAS Number:
6961-37-1
Molecular Formula:
C14H21AsN2O7
Molecular Weight:
404.2473
IUPAC Name:
[3,4-bis(propoxycarbonylamino)phenyl]arsonic acid
InChI:
InChI=1S/C14H21AsN2O7/c1-3-7-23-13(18)16-11-6-5-10(15(20,21)22)9-12(11)17-14(19)24-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19)(H2,20,21,22)
InChI Key:
PTLYOYRKXWOKHT-UHFFFAOYSA-N
SMILES:
CCCOC(=O)Nc1cc(ccc1NC(=O)OCCC)[As](=O)(O)O
NSC Number:
63126
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
404.251g/mol
Monoisotopic Mass:
404.056g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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