Home Nitriles 3-Chloro-4-(imidazol-1-yl)benzonitrile

3-Chloro-4-(imidazol-1-yl)benzonitrile

CAS No.:
1341988-51-9
Catalog Number:
AG009X0C
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009X0C
Chemical Name:
3-Chloro-4-(imidazol-1-yl)benzonitrile
CAS Number:
1341988-51-9
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
MDL Number:
MFCD17291394
IUPAC Name:
3-chloro-4-imidazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H6ClN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H
InChI Key:
QPTPQRWIILISSY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)n1cncc1
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  
Properties