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951892-90-3 | 2-Bromo-3-(3,4,5-trifluorophenyl)-1-propene
CAS No: 951892-90-3 Catalog No: AG01F01S MDL No:
Product Description
Catalog Number:
AG01F01S
Chemical Name:
2-Bromo-3-(3,4,5-trifluorophenyl)-1-propene
CAS Number:
951892-90-3
Molecular Formula:
C9H6BrF3
Molecular Weight:
251.0431
IUPAC Name:
5-(2-bromoprop-2-enyl)-1,2,3-trifluorobenzene
InChI:
InChI=1S/C9H6BrF3/c1-5(10)2-6-3-7(11)9(13)8(12)4-6/h3-4H,1-2H2
InChI Key:
XRZRRDXYLFTKPN-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.046g/mol
Monoisotopic Mass:
249.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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