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191531-10-9 | Propanedinitrile, 2-(2-bromo-1-methyl-2-phenylethyl)-
CAS No: 191531-10-9 Catalog No: AG002FAW MDL No:
Product Description
Catalog Number:
AG002FAW
Chemical Name:
Propanedinitrile, 2-(2-bromo-1-methyl-2-phenylethyl)-
CAS Number:
191531-10-9
Molecular Formula:
C12H11BrN2
Molecular Weight:
263.1331
IUPAC Name:
2-(1-bromo-1-phenylpropan-2-yl)propanedinitrile
InChI:
InChI=1S/C12H11BrN2/c1-9(11(7-14)8-15)12(13)10-5-3-2-4-6-10/h2-6,9,11-12H,1H3
InChI Key:
AEQFWDLHKJAYNJ-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)C(C(C#N)C#N)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.138g/mol
Monoisotopic Mass:
262.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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