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14225-81-1

14225-81-1 | 1H-Benzimidazole, 2-(2-chloro-5-fluorophenyl)-

CAS No: 14225-81-1 Catalog No: AG001I2O MDL No:

Product Description

Catalog Number:
AG001I2O
Chemical Name:
1H-Benzimidazole, 2-(2-chloro-5-fluorophenyl)-
CAS Number:
14225-81-1
Molecular Formula:
C13H8ClFN2
Molecular Weight:
246.6674
IUPAC Name:
2-(2-chloro-5-fluorophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H8ClFN2/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChI Key:
VLFATAJMXVYYSC-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl
NSC Number:
128750

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.669g/mol
Monoisotopic Mass:
246.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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