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Home > Fluorides > 227948-39-2
227948-39-2 | 1-(Methoxymethyl)-2-(trifluoromethyl)benzene
CAS No: 227948-39-2 Catalog No: AG003D3J MDL No:MFCD11504957
Product Description
Catalog Number:
AG003D3J
Chemical Name:
1-(Methoxymethyl)-2-(trifluoromethyl)benzene
CAS Number:
227948-39-2
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD11504957
IUPAC Name:
1-(methoxymethyl)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3
InChI Key:
CRUXDWLVMHPQCP-UHFFFAOYSA-N
SMILES:
COCc1ccccc1C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.165g/mol
Monoisotopic Mass:
190.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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