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13764-23-3 | Propanedinitrile, 2-(2-bromo-1,2-dimethylpropyl)-
CAS No: 13764-23-3 Catalog No: AG0013O3 MDL No:
Product Description
Catalog Number:
AG0013O3
Chemical Name:
Propanedinitrile, 2-(2-bromo-1,2-dimethylpropyl)-
CAS Number:
13764-23-3
Molecular Formula:
C8H11BrN2
Molecular Weight:
215.0903
IUPAC Name:
2-(3-bromo-3-methylbutan-2-yl)propanedinitrile
InChI:
InChI=1S/C8H11BrN2/c1-6(8(2,3)9)7(4-10)5-11/h6-7H,1-3H3
InChI Key:
WOSDMZGNXIVUIN-UHFFFAOYSA-N
SMILES:
N#CC(C(C(Br)(C)C)C)C#N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.094g/mol
Monoisotopic Mass:
214.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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