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951889-45-5 | 2-Bromo-4-[(3-trifluoromethyl)phenyl]-1-butene
CAS No: 951889-45-5 Catalog No: AG01EZTR MDL No:
Product Description
Catalog Number:
AG01EZTR
Chemical Name:
2-Bromo-4-[(3-trifluoromethyl)phenyl]-1-butene
CAS Number:
951889-45-5
Molecular Formula:
C11H10BrF3
Molecular Weight:
279.0963
IUPAC Name:
1-(3-bromobut-3-enyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H10BrF3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13,14)15/h2-4,7H,1,5-6H2
InChI Key:
GAGBCHBDJZFCLT-UHFFFAOYSA-N
SMILES:
BrC(=C)CCc1cccc(c1)C(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.1g/mol
Monoisotopic Mass:
277.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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