Home Halogens 1-(4-bromobutoxy)-3-(trifluoromethyl)benzene

1-(4-bromobutoxy)-3-(trifluoromethyl)benzene

CAS No.:
70743-66-7
Catalog Number:
AG019W5G
Molecular Formula:
C11H12BrF3O
Molecular Weight:
297.1116
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Product Description
Catalog Number:
AG019W5G
Chemical Name:
1-(4-bromobutoxy)-3-(trifluoromethyl)benzene
CAS Number:
70743-66-7
Molecular Formula:
C11H12BrF3O
Molecular Weight:
297.1116
MDL Number:
MFCD11213831
IUPAC Name:
1-(4-bromobutoxy)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H12BrF3O/c12-6-1-2-7-16-10-5-3-4-9(8-10)11(13,14)15/h3-5,8H,1-2,6-7H2
InChI Key:
PMAFRLNIEQFVSY-UHFFFAOYSA-N
SMILES:
BrCCCCOc1cccc(c1)C(F)(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:
296.002g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.115g/mol
Monoisotopic Mass:
296.002g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties