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159276-58-1 | Benzene, 1-[1-(bromomethyl)ethenyl]-2,4-difluoro-
CAS No: 159276-58-1 Catalog No: AG001QLB MDL No:
Product Description
Catalog Number:
AG001QLB
Chemical Name:
Benzene, 1-[1-(bromomethyl)ethenyl]-2,4-difluoro-
CAS Number:
159276-58-1
Molecular Formula:
C9H7BrF2
Molecular Weight:
233.0527
IUPAC Name:
1-(3-bromoprop-1-en-2-yl)-2,4-difluorobenzene
InChI:
InChI=1S/C9H7BrF2/c1-6(5-10)8-3-2-7(11)4-9(8)12/h2-4H,1,5H2
InChI Key:
VEHMGPJUOWKYRJ-UHFFFAOYSA-N
SMILES:
BrCC(=C)c1ccc(cc1F)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.056g/mol
Monoisotopic Mass:
231.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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