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88365-53-1 | Pentanenitrile, 3-bromo-2-(diethylamino)-
CAS No: 88365-53-1 Catalog No: AG004J3Z MDL No:
Product Description
Catalog Number:
AG004J3Z
Chemical Name:
Pentanenitrile, 3-bromo-2-(diethylamino)-
CAS Number:
88365-53-1
Molecular Formula:
C9H17BrN2
Molecular Weight:
233.1487
IUPAC Name:
3-bromo-2-(diethylamino)pentanenitrile
InChI:
InChI=1S/C9H17BrN2/c1-4-8(10)9(7-11)12(5-2)6-3/h8-9H,4-6H2,1-3H3
InChI Key:
NGXZZKYEJKERCO-UHFFFAOYSA-N
SMILES:
CCC(C(N(CC)CC)C#N)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.153g/mol
Monoisotopic Mass:
232.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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