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14628-12-7

14628-12-7 | Carbanilic acid, m-bromo-, 8-quinolyl ester (8CI)

CAS No: 14628-12-7 Catalog No: AG001DU9 MDL No:

Product Description

Catalog Number:
AG001DU9
Chemical Name:
Carbanilic acid, m-bromo-, 8-quinolyl ester (8CI)
CAS Number:
14628-12-7
Molecular Formula:
C16H11BrN2O2
Molecular Weight:
343.1747
IUPAC Name:
quinolin-8-yl N-(3-bromophenyl)carbamate
InChI:
InChI=1S/C16H11BrN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20)
InChI Key:
BCEKERQOLLFFIM-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc2c1nccc2)Nc1cccc(c1)Br
NSC Number:
377851

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
343.18g/mol
Monoisotopic Mass:
342g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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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