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2-phenyl-2-(trifluoromethyl)oxirane

CAS No.:
75590-22-6
Catalog Number:
AG01BNDN
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
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Product Description
Catalog Number:
AG01BNDN
Chemical Name:
2-phenyl-2-(trifluoromethyl)oxirane
CAS Number:
75590-22-6
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD28039514
IUPAC Name:
2-phenyl-2-(trifluoromethyl)oxirane
InChI:
InChI=1S/C9H7F3O/c10-9(11,12)8(6-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
JCJQTSDFRCDMGF-UHFFFAOYSA-N
SMILES:
FC(C1(OC1)c1ccccc1)(F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties