200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 114389-74-1
114389-74-1 | 3-Butyn-2-ol, 1,1,1-trifluoro-2-methyl-4-phenyl-
CAS No: 114389-74-1 Catalog No: AG000B7M MDL No:
Product Description
Catalog Number:
AG000B7M
Chemical Name:
3-Butyn-2-ol, 1,1,1-trifluoro-2-methyl-4-phenyl-
CAS Number:
114389-74-1
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
IUPAC Name:
1,1,1-trifluoro-2-methyl-4-phenylbut-3-yn-2-ol
InChI:
InChI=1S/C11H9F3O/c1-10(15,11(12,13)14)8-7-9-5-3-2-4-6-9/h2-6,15H,1H3
InChI Key:
XJHXWLPXCRFCBJ-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)(C#Cc1ccccc1)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.187g/mol
Monoisotopic Mass:
214.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.