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28705-92-2 | Propanoic acid, 2-[[[(3-chlorophenyl)amino]carbonyl]oxy]-
CAS No: 28705-92-2 Catalog No: AG002W6D MDL No:
Product Description
Catalog Number:
AG002W6D
Chemical Name:
Propanoic acid, 2-[[[(3-chlorophenyl)amino]carbonyl]oxy]-
CAS Number:
28705-92-2
Molecular Formula:
C10H10ClNO4
Molecular Weight:
243.6437
IUPAC Name:
2-[(3-chlorophenyl)carbamoyloxy]propanoic acid
InChI:
InChI=1S/C10H10ClNO4/c1-6(9(13)14)16-10(15)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,15)(H,13,14)
InChI Key:
NRAOBMLLDCDJMV-UHFFFAOYSA-N
SMILES:
O=C(OC(C(=O)O)C)Nc1cccc(c1)Cl
NSC Number:
73170
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.643g/mol
Monoisotopic Mass:
243.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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