Home Halogens 3-bromo-2-isocyanatobenzonitrile

3-bromo-2-isocyanatobenzonitrile

CAS No.:
1261508-23-9
Catalog Number:
AG019U1L
Molecular Formula:
C8H3BrN2O
Molecular Weight:
223.0262
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Product Description
Catalog Number:
AG019U1L
Chemical Name:
3-bromo-2-isocyanatobenzonitrile
CAS Number:
1261508-23-9
Molecular Formula:
C8H3BrN2O
Molecular Weight:
223.0262
MDL Number:
MFCD18390810
IUPAC Name:
3-bromo-2-isocyanatobenzonitrile
InChI:
InChI=1S/C8H3BrN2O/c9-7-3-1-2-6(4-10)8(7)11-5-12/h1-3H
InChI Key:
IISXKLLJMFMXIU-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(Br)cccc1C#N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.943g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.029g/mol
Monoisotopic Mass:
221.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties