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951893-82-6 | 2-Bromo-3-(2-cyano-3-fluorophenyl)-1-propene
CAS No: 951893-82-6 Catalog No: AG01F03O MDL No:
Product Description
Catalog Number:
AG01F03O
Chemical Name:
2-Bromo-3-(2-cyano-3-fluorophenyl)-1-propene
CAS Number:
951893-82-6
Molecular Formula:
C10H7BrFN
Molecular Weight:
240.0717
IUPAC Name:
2-(2-bromoprop-2-enyl)-6-fluorobenzonitrile
InChI:
InChI=1S/C10H7BrFN/c1-7(11)5-8-3-2-4-10(12)9(8)6-13/h2-4H,1,5H2
InChI Key:
WEFCDDHUFQMOHZ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C#N)CC(=C)Br
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.075g/mol
Monoisotopic Mass:
238.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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