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Home > Bromides > 1381952-86-8
1381952-86-8 | 3-Buten-2-one, 4-[2-bromo-6-(trifluoromethoxy)phenyl]-
CAS No: 1381952-86-8 Catalog No: AG00188S MDL No:MFCD22375109
Product Description
Catalog Number:
AG00188S
Chemical Name:
3-Buten-2-one, 4-[2-bromo-6-(trifluoromethoxy)phenyl]-
CAS Number:
1381952-86-8
Molecular Formula:
C11H8BrF3O2
Molecular Weight:
309.0792
MDL Number:
MFCD22375109
IUPAC Name:
4-[2-bromo-6-(trifluoromethoxy)phenyl]but-3-en-2-one
InChI:
InChI=1S/C11H8BrF3O2/c1-7(16)5-6-8-9(12)3-2-4-10(8)17-11(13,14)15/h2-6H,1H3
InChI Key:
KHRPNNZODGRFMN-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1c(Br)cccc1OC(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.966g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.082g/mol
Monoisotopic Mass:
307.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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