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897393-09-8 | Benzonitrile, 4-(2-bromo-2-fluoroethenyl)-
CAS No: 897393-09-8 Catalog No: AG0041LT MDL No:
Product Description
Catalog Number:
AG0041LT
Chemical Name:
Benzonitrile, 4-(2-bromo-2-fluoroethenyl)-
CAS Number:
897393-09-8
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
IUPAC Name:
4-(2-bromo-2-fluoroethenyl)benzonitrile
InChI:
InChI=1S/C9H5BrFN/c10-9(11)5-7-1-3-8(6-12)4-2-7/h1-5H
InChI Key:
WKUYMHIYECIUPZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=C(Br)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.048g/mol
Monoisotopic Mass:
224.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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