Home Halogens 5-bromo-4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde

5-bromo-4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde

CAS No.:
1782250-66-1
Catalog Number:
AG01DYWY
Molecular Formula:
C5H2BrF3N2O
Molecular Weight:
242.9814
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Product Description
Catalog Number:
AG01DYWY
Chemical Name:
5-bromo-4-(trifluoromethyl)-1H-imidazole-2-carbaldehyde
CAS Number:
1782250-66-1
Molecular Formula:
C5H2BrF3N2O
Molecular Weight:
242.9814
MDL Number:
MFCD31616584
IUPAC Name:
4-bromo-5-(trifluoromethyl)-1H-imidazole-2-carbaldehyde
InChI:
InChI=1S/C5H2BrF3N2O/c6-4-3(5(7,8)9)10-2(1-12)11-4/h1H,(H,10,11)
InChI Key:
AISZGPXABGEVRT-UHFFFAOYSA-N
SMILES:
O=Cc1nc(c([nH]1)Br)C(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.93g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.983g/mol
Monoisotopic Mass:
241.93g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties