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88148-50-9 | Propanedinitrile, [1-(2-bromophenyl)ethylidene]-
CAS No: 88148-50-9 Catalog No: AG004ECY MDL No:
Product Description
Catalog Number:
AG004ECY
Chemical Name:
Propanedinitrile, [1-(2-bromophenyl)ethylidene]-
CAS Number:
88148-50-9
Molecular Formula:
C11H7BrN2
Molecular Weight:
247.0907
IUPAC Name:
2-[1-(2-bromophenyl)ethylidene]propanedinitrile
InChI:
InChI=1S/C11H7BrN2/c1-8(9(6-13)7-14)10-4-2-3-5-11(10)12/h2-5H,1H3
InChI Key:
PBKVQKIVTNXNHD-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1Br)C)C#N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.095g/mol
Monoisotopic Mass:
245.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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