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77414-54-1

77414-54-1 | Cyclopropanecarboxamide,N-(4-chloro-2-benzothiazolyl)-

CAS No: 77414-54-1 Catalog No: AG005BE1 MDL No:

Product Description

Catalog Number:
AG005BE1
Chemical Name:
Cyclopropanecarboxamide,N-(4-chloro-2-benzothiazolyl)-
CAS Number:
77414-54-1
Molecular Formula:
C11H9ClN2OS
Molecular Weight:
252.7200
IUPAC Name:
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
InChI:
InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8-9(7)13-11(16-8)14-10(15)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,15)
InChI Key:
AEHCJVYHSFLCHM-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1sc2c(n1)c(Cl)ccc2

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.716g/mol
Monoisotopic Mass:
252.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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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