Home Other Building Blocks 3-(hydroxymethyl)-5-(trifluoromethyl)phenol

3-(hydroxymethyl)-5-(trifluoromethyl)phenol

CAS No.:
1261611-31-7
Catalog Number:
AG01B6LS
Molecular Formula:
C8H7F3O2
Molecular Weight:
192.1352
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Product Description
Catalog Number:
AG01B6LS
Chemical Name:
3-(hydroxymethyl)-5-(trifluoromethyl)phenol
CAS Number:
1261611-31-7
Molecular Formula:
C8H7F3O2
Molecular Weight:
192.1352
MDL Number:
MFCD11857806
IUPAC Name:
3-(hydroxymethyl)-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C8H7F3O2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3,12-13H,4H2
InChI Key:
AAJMJSWOTMKIDJ-UHFFFAOYSA-N
SMILES:
OCc1cc(O)cc(c1)C(F)(F)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.137g/mol
Monoisotopic Mass:
192.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties