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70097-64-2 | 1-(Benzyloxy);-3-(trifluoromethyl);benzene
CAS No: 70097-64-2 Catalog No: AG003E0I MDL No:MFCD01310785
Product Description
Catalog Number:
AG003E0I
Chemical Name:
1-(Benzyloxy);-3-(trifluoromethyl);benzene
CAS Number:
70097-64-2
Molecular Formula:
C14H11F3O
Molecular Weight:
252.2317
MDL Number:
MFCD01310785
IUPAC Name:
1-phenylmethoxy-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2
InChI Key:
KFUXJOLIPMQFEL-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)OCc1ccccc1)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.236g/mol
Monoisotopic Mass:
252.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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