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28666-02-6 | Pentanenitrile, 2-bromo-
CAS No: 28666-02-6 Catalog No: AG002W1A MDL No:
Product Description
Catalog Number:
AG002W1A
Chemical Name:
Pentanenitrile, 2-bromo-
CAS Number:
28666-02-6
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
IUPAC Name:
2-bromopentanenitrile
InChI:
InChI=1S/C5H8BrN/c1-2-3-5(6)4-7/h5H,2-3H2,1H3
InChI Key:
OETNUCMBHKNECJ-UHFFFAOYSA-N
SMILES:
CCCC(C#N)Br
Properties
Complexity:
81.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.03g/mol
Monoisotopic Mass:
160.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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