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1885-26-3 | PROPANEDINITRILE, 2-(2-BROMO-2-PHENYLETHYL)-
CAS No: 1885-26-3 Catalog No: AG002GXS MDL No:
Product Description
Catalog Number:
AG002GXS
Chemical Name:
PROPANEDINITRILE, 2-(2-BROMO-2-PHENYLETHYL)-
CAS Number:
1885-26-3
Molecular Formula:
C11H9BrN2
Molecular Weight:
249.1066
IUPAC Name:
2-(2-bromo-2-phenylethyl)propanedinitrile
InChI:
InChI=1S/C11H9BrN2/c12-11(6-9(7-13)8-14)10-4-2-1-3-5-10/h1-5,9,11H,6H2
InChI Key:
QZUDEDBRPMSPSI-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)CC(C#N)C#N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.111g/mol
Monoisotopic Mass:
247.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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