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1263377-27-0 | 2-Fluoro-5-(trifluoromethyl)phenylacetylene
CAS No: 1263377-27-0 Catalog No: AG01FAW9 MDL No:
Product Description
Catalog Number:
AG01FAW9
Chemical Name:
2-Fluoro-5-(trifluoromethyl)phenylacetylene
CAS Number:
1263377-27-0
Molecular Formula:
C9H4F4
Molecular Weight:
188.1217
IUPAC Name:
2-ethynyl-1-fluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H4F4/c1-2-6-5-7(9(11,12)13)3-4-8(6)10/h1,3-5H
InChI Key:
FPXHQMWSRWFGDP-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1F)C(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.125g/mol
Monoisotopic Mass:
188.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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