Home Halogens 3-(bromomethyl)-5-(trifluoromethyl)phenol

3-(bromomethyl)-5-(trifluoromethyl)phenol

CAS No.:
1261761-17-4
Catalog Number:
AG01B6UQ
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
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Product Description
Catalog Number:
AG01B6UQ
Chemical Name:
3-(bromomethyl)-5-(trifluoromethyl)phenol
CAS Number:
1261761-17-4
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD18397643
IUPAC Name:
3-(bromomethyl)-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C8H6BrF3O/c9-4-5-1-6(8(10,11)12)3-7(13)2-5/h1-3,13H,4H2
InChI Key:
DRSLBTMSQZATMU-UHFFFAOYSA-N
SMILES:
BrCc1cc(O)cc(c1)C(F)(F)F
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties