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24963-24-4

24963-24-4 | 3(2H)-Benzoxazolecarboxylic acid, 5-chloro-2-oxo-, ethyl ester

CAS No: 24963-24-4 Catalog No: AG002Q05 MDL No:

Product Description

Catalog Number:
AG002Q05
Chemical Name:
3(2H)-Benzoxazolecarboxylic acid, 5-chloro-2-oxo-, ethyl ester
CAS Number:
24963-24-4
Molecular Formula:
C10H8ClNO4
Molecular Weight:
241.6278
IUPAC Name:
ethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
InChI:
InChI=1S/C10H8ClNO4/c1-2-15-9(13)12-7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3
InChI Key:
PXGIZDAJJVNROD-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1c(=O)oc2c1cc(Cl)cc2

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.627g/mol
Monoisotopic Mass:
241.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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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