Home Nitriles 4-Bromonaphthalene-2-carbonitrile

4-Bromonaphthalene-2-carbonitrile

CAS No.:
496835-91-7
Catalog Number:
AG00DGE9
Molecular Formula:
C11H6BrN
Molecular Weight:
232.0760
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Product Description
Catalog Number:
AG00DGE9
Chemical Name:
4-Bromonaphthalene-2-carbonitrile
CAS Number:
496835-91-7
Molecular Formula:
C11H6BrN
Molecular Weight:
232.0760
MDL Number:
MFCD17012555
IUPAC Name:
4-bromonaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H6BrN/c12-11-6-8(7-13)5-9-3-1-2-4-10(9)11/h1-6H
InChI Key:
VFVLFPVBNRQPHB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.968g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.08g/mol
Monoisotopic Mass:
230.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties