Home Other Building Blocks 4-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine

4-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine

CAS No.:
1227594-55-9
Catalog Number:
AG00HGXB
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
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Product Description
Catalog Number:
AG00HGXB
Chemical Name:
4-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CAS Number:
1227594-55-9
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
MDL Number:
MFCD16610187
IUPAC Name:
4-(bromomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C7H5BrF3NO/c8-3-4-1-5(7(9,10)11)12-6(13)2-4/h1-2H,3H2,(H,12,13)
InChI Key:
MNPKWBVTRDWMQU-UHFFFAOYSA-N
SMILES:
BrCc1cc(O)nc(c1)C(F)(F)F
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties