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1057678-65-5 | 1-(3-bromopropyl)-3-(trifluoromethoxy)benzene
CAS No: 1057678-65-5 Catalog No: AG01ELUT MDL No:MFCD09744370
Product Description
Catalog Number:
AG01ELUT
Chemical Name:
1-(3-bromopropyl)-3-(trifluoromethoxy)benzene
CAS Number:
1057678-65-5
Molecular Formula:
C10H10BrF3O
Molecular Weight:
283.0850
MDL Number:
MFCD09744370
IUPAC Name:
1-(3-bromopropyl)-3-(trifluoromethoxy)benzene
InChI:
InChI=1S/C10H10BrF3O/c11-6-2-4-8-3-1-5-9(7-8)15-10(12,13)14/h1,3,5,7H,2,4,6H2
InChI Key:
WBSRIBTUVFZTKM-UHFFFAOYSA-N
SMILES:
BrCCCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.088g/mol
Monoisotopic Mass:
281.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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