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Home > Fluorides > 130654-80-7
130654-80-7 | Benzene, 1-methoxy-2-(3,3,3-trifluoro-1-propyn-1-yl)-
CAS No: 130654-80-7 Catalog No: AG000URE MDL No:
Product Description
Catalog Number:
AG000URE
Chemical Name:
Benzene, 1-methoxy-2-(3,3,3-trifluoro-1-propyn-1-yl)-
CAS Number:
130654-80-7
Molecular Formula:
C10H7F3O
Molecular Weight:
200.1572
IUPAC Name:
1-methoxy-2-(3,3,3-trifluoroprop-1-ynyl)benzene
InChI:
InChI=1S/C10H7F3O/c1-14-9-5-3-2-4-8(9)6-7-10(11,12)13/h2-5H,1H3
InChI Key:
UWQMLMGTPHLGSW-UHFFFAOYSA-N
SMILES:
COc1ccccc1C#CC(F)(F)F
Properties
Complexity:
245
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:
0
Isotope Atom Count:
0
Molecular Weight:
200.16g/mol
Monoisotopic Mass:
200.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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