Home Halogens methyl 2,2-dibromo-2-cyanoacetate

methyl 2,2-dibromo-2-cyanoacetate

CAS No.:
13280-86-9
Catalog Number:
AG01C2EL
Molecular Formula:
C4H3Br2NO2
Molecular Weight:
256.8801
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Product Description
Catalog Number:
AG01C2EL
Chemical Name:
methyl 2,2-dibromo-2-cyanoacetate
CAS Number:
13280-86-9
Molecular Formula:
C4H3Br2NO2
Molecular Weight:
256.8801
MDL Number:
MFCD16170515
IUPAC Name:
methyl 2,2-dibromo-2-cyanoacetate
InChI:
InChI=1S/C4H3Br2NO2/c1-9-3(8)4(5,6)2-7/h1H3
InChI Key:
WYBGZSSOLIOTRP-UHFFFAOYSA-N
SMILES:
COC(=O)C(C#N)(Br)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.851g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.881g/mol
Monoisotopic Mass:
254.853g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties