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149550-26-5 | Propanedinitrile, 2-[(3-bromo-4-fluorophenyl)methylene]-
CAS No: 149550-26-5 Catalog No: AG001LTP MDL No:
Product Description
Catalog Number:
AG001LTP
Chemical Name:
Propanedinitrile, 2-[(3-bromo-4-fluorophenyl)methylene]-
CAS Number:
149550-26-5
Molecular Formula:
C10H4BrFN2
Molecular Weight:
251.0546
IUPAC Name:
2-[(3-bromo-4-fluorophenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H4BrFN2/c11-9-4-7(1-2-10(9)12)3-8(5-13)6-14/h1-4H
InChI Key:
DFNFCGRXPLQYOH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(c(c1)Br)F)C#N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.954g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.058g/mol
Monoisotopic Mass:
249.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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