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31704-11-7

31704-11-7 | Quinoline, 4-(1H-benzimidazol-2-yl)-

CAS No: 31704-11-7 Catalog No: AG00382U MDL No:MFCD00704019

Product Description

Catalog Number:
AG00382U
Chemical Name:
Quinoline, 4-(1H-benzimidazol-2-yl)-
CAS Number:
31704-11-7
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
MDL Number:
MFCD00704019
IUPAC Name:
4-(1H-benzimidazol-2-yl)quinoline
InChI:
InChI=1S/C16H11N3/c1-2-6-13-11(5-1)12(9-10-17-13)16-18-14-7-3-4-8-15(14)19-16/h1-10H,(H,18,19)
InChI Key:
WQWLWMHHMQYNIE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccn2)c1nc2c([nH]1)cccc2

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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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