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Home > Fluorides > 179249-17-3
179249-17-3 | Benzenemethanol, α-ethynyl-3-fluoro-, (R)- (9CI)
CAS No: 179249-17-3 Catalog No: AG0026WE MDL No:
Product Description
Catalog Number:
AG0026WE
Chemical Name:
Benzenemethanol, α-ethynyl-3-fluoro-, (R)- (9CI)
CAS Number:
179249-17-3
Molecular Formula:
C9H7FO
Molecular Weight:
150.1497
IUPAC Name:
(1R)-1-(3-fluorophenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C9H7FO/c1-2-9(11)7-4-3-5-8(10)6-7/h1,3-6,9,11H/t9-/m1/s1
InChI Key:
ZVCCBLHUZGVITQ-SECBINFHSA-N
SMILES:
C#C[C@H](c1cccc(c1)F)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.152g/mol
Monoisotopic Mass:
150.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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