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25109-74-4 | Butanenitrile, 3,4-dibromo-
CAS No: 25109-74-4 Catalog No: AG002QHS MDL No:
Product Description
Catalog Number:
AG002QHS
Chemical Name:
Butanenitrile, 3,4-dibromo-
CAS Number:
25109-74-4
Molecular Formula:
C4H5Br2N
Molecular Weight:
226.8972
IUPAC Name:
3,4-dibromobutanenitrile
InChI:
InChI=1S/C4H5Br2N/c5-3-4(6)1-2-7/h4H,1,3H2
InChI Key:
MCHBWFDXJBLCAG-UHFFFAOYSA-N
SMILES:
BrC(CBr)CC#N
Properties
Complexity:
82.9
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:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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