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Home > Fluorides > 173546-21-9
173546-21-9 | 2-Propyn-1-ol, 3-[4-(trifluoromethyl)phenyl]-
CAS No: 173546-21-9 Catalog No: AG001YZV MDL No:MFCD06803757
Product Description
Catalog Number:
AG001YZV
Chemical Name:
2-Propyn-1-ol, 3-[4-(trifluoromethyl)phenyl]-
CAS Number:
173546-21-9
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
MDL Number:
MFCD06803757
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
InChI:
InChI=1S/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,7H2
InChI Key:
VEEPNQSOSPXYDQ-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
237
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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