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114523-02-3 | Pentanenitrile, 5-(acetyloxy)-2-bromo-
CAS No: 114523-02-3 Catalog No: AG000ENA MDL No:
Product Description
Catalog Number:
AG000ENA
Chemical Name:
Pentanenitrile, 5-(acetyloxy)-2-bromo-
CAS Number:
114523-02-3
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
IUPAC Name:
(4-bromo-4-cyanobutyl) acetate
InChI:
InChI=1S/C7H10BrNO2/c1-6(10)11-4-2-3-7(8)5-9/h7H,2-4H2,1H3
InChI Key:
RZDUTZJTJCJIHE-UHFFFAOYSA-N
SMILES:
N#CC(CCCOC(=O)C)Br
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.066g/mol
Monoisotopic Mass:
218.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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