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402-09-5 | 2-bromo-1-ethenyl-4-(trifluoromethyl)benzene
CAS No: 402-09-5 Catalog No: AG01EM7L MDL No:
Product Description
Catalog Number:
AG01EM7L
Chemical Name:
2-bromo-1-ethenyl-4-(trifluoromethyl)benzene
CAS Number:
402-09-5
Molecular Formula:
C9H6BrF3
Molecular Weight:
251.0431
IUPAC Name:
2-bromo-1-ethenyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6BrF3/c1-2-6-3-4-7(5-8(6)10)9(11,12)13/h2-5H,1H2
InChI Key:
XIHNGTKOSAPCSP-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1Br)C(F)(F)F
Properties
Complexity:
188
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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