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175135-13-4

175135-13-4 | 1H-Benzimidazole, 7-chloro-5-(trifluoromethyl)-

CAS No: 175135-13-4 Catalog No: AG002061 MDL No:MFCD11054316

Product Description

Catalog Number:
AG002061
Chemical Name:
1H-Benzimidazole, 7-chloro-5-(trifluoromethyl)-
CAS Number:
175135-13-4
Molecular Formula:
C8H4ClF3N2
Molecular Weight:
220.5790
MDL Number:
MFCD11054316
IUPAC Name:
4-chloro-6-(trifluoromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H4ClF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
InChI Key:
MKRPZDBFYQLJPO-UHFFFAOYSA-N
SMILES:
Clc1cc(cc2c1[nH]cn2)C(F)(F)F

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.579g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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