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191531-13-2 | PROPANEDINITRILE, 2-(2-BROMO-2-ETHOXYETHYL)-
CAS No: 191531-13-2 Catalog No: AG002FAT MDL No:
Product Description
Catalog Number:
AG002FAT
Chemical Name:
PROPANEDINITRILE, 2-(2-BROMO-2-ETHOXYETHYL)-
CAS Number:
191531-13-2
Molecular Formula:
C7H9BrN2O
Molecular Weight:
217.0632
IUPAC Name:
2-(2-bromo-2-ethoxyethyl)propanedinitrile
InChI:
InChI=1S/C7H9BrN2O/c1-2-11-7(8)3-6(4-9)5-10/h6-7H,2-3H2,1H3
InChI Key:
JAGIHWLUZHYUSX-UHFFFAOYSA-N
SMILES:
CCOC(CC(C#N)C#N)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.066g/mol
Monoisotopic Mass:
215.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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