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27190-70-1 | 1-Ethyl-3-(trifluoromethyl)benzene
CAS No: 27190-70-1 Catalog No: AG01FGZZ MDL No:
Product Description
Catalog Number:
AG01FGZZ
Chemical Name:
1-Ethyl-3-(trifluoromethyl)benzene
CAS Number:
27190-70-1
IUPAC Name:
1-ethyl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H9F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h3-6H,2H2,1H3
InChI Key:
CKQINTYJQOUAOQ-UHFFFAOYSA-N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.166g/mol
Monoisotopic Mass:
174.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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