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26454-82-0 | Propanedinitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]-
CAS No: 26454-82-0 Catalog No: AG002T9X MDL No:MFCD10003246
Product Description
Catalog Number:
AG002T9X
Chemical Name:
Propanedinitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]-
CAS Number:
26454-82-0
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD10003246
IUPAC Name:
2-[2-(4-bromophenyl)-2-oxoethyl]propanedinitrile
InChI:
InChI=1S/C11H7BrN2O/c12-10-3-1-9(2-4-10)11(15)5-8(6-13)7-14/h1-4,8H,5H2
InChI Key:
DJIYFSBMBTYKTJ-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccc(cc1)Br)C#N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.094g/mol
Monoisotopic Mass:
261.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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