Home Other Building Blocks Benzenemethanol, a-ethynyl-a-(trifluoromethyl)-

Benzenemethanol, a-ethynyl-a-(trifluoromethyl)-

CAS No.:
99727-20-5
Catalog Number:
AG00IKBU
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
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Product Description
Catalog Number:
AG00IKBU
Chemical Name:
Benzenemethanol, a-ethynyl-a-(trifluoromethyl)-
CAS Number:
99727-20-5
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
MDL Number:
MFCD00792447
IUPAC Name:
1,1,1-trifluoro-2-phenylbut-3-yn-2-ol
InChI:
InChI=1S/C10H7F3O/c1-2-9(14,10(11,12)13)8-6-4-3-5-7-8/h1,3-7,14H
InChI Key:
WWIJKFJKIOQDKI-UHFFFAOYSA-N
SMILES:
C#CC(C(F)(F)F)(c1ccccc1)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.045g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties