Home Nitriles 3-Bromophthalonitrile

3-Bromophthalonitrile

CAS No.:
76241-80-0
Catalog Number:
AG019FXJ
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
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Product Description
Catalog Number:
AG019FXJ
Chemical Name:
3-Bromophthalonitrile
CAS Number:
76241-80-0
Molecular Formula:
C8H3BrN2
Molecular Weight:
207.0268
MDL Number:
MFCD19689407
IUPAC Name:
3-bromobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3BrN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
InChI Key:
VYNRAZJFOMVDKS-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)cccc1Br
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.948g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.03g/mol
Monoisotopic Mass:
205.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties