Home Halogens 5-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

5-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

CAS No.:
242473-51-4
Catalog Number:
AG01DW9E
Molecular Formula:
C9H6BrN
Molecular Weight:
208.0546
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Product Description
Catalog Number:
AG01DW9E
Chemical Name:
5-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CAS Number:
242473-51-4
Molecular Formula:
C9H6BrN
Molecular Weight:
208.0546
MDL Number:
MFCD31616253
IUPAC Name:
5-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
InChI:
InChI=1S/C9H6BrN/c10-8-3-1-2-6-4-7(5-11)9(6)8/h1-3,7H,4H2
InChI Key:
XJLOZQFHCDKJSP-UHFFFAOYSA-N
SMILES:
N#CC1Cc2c1c(Br)ccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.968g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.058g/mol
Monoisotopic Mass:
206.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties