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Home Halogens Benzonitrile, 2-chloro-6-(1H-imidazol-1-yl)-

Benzonitrile, 2-chloro-6-(1H-imidazol-1-yl)-

CAS No.:
287176-53-8
Catalog Number:
AG002W8I
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
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Product Description
Catalog Number:
AG002W8I
Chemical Name:
Benzonitrile, 2-chloro-6-(1H-imidazol-1-yl)-
CAS Number:
287176-53-8
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
MDL Number:
MFCD01764491
IUPAC Name:
2-chloro-6-imidazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H6ClN3/c11-9-2-1-3-10(8(9)6-12)14-5-4-13-7-14/h1-5,7H
InChI Key:
YHOLVZHNEDDOJS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cccc1n1cncc1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.629g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties