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25109-76-6 | Butanenitrile, 2,3-dibromo-
CAS No: 25109-76-6 Catalog No: AG002QHR MDL No:
Product Description
Catalog Number:
AG002QHR
Chemical Name:
Butanenitrile, 2,3-dibromo-
CAS Number:
25109-76-6
Molecular Formula:
C4H5Br2N
Molecular Weight:
226.8972
IUPAC Name:
2,3-dibromobutanenitrile
InChI:
InChI=1S/C4H5Br2N/c1-3(5)4(6)2-7/h3-4H,1H3
InChI Key:
TWLGLYVADVLALB-UHFFFAOYSA-N
SMILES:
CC(C(C#N)Br)Br
EC Number:
246-624-9
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.877g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.899g/mol
Monoisotopic Mass:
224.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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