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92616-49-4

92616-49-4 | 4-Bromo-1-naphthonitrile

CAS No: 92616-49-4 Catalog No: AG0038J7 MDL No:MFCD17012445

Product Description

Catalog Number:
AG0038J7
Chemical Name:
4-Bromo-1-naphthonitrile
CAS Number:
92616-49-4
Molecular Formula:
C11H6BrN
Molecular Weight:
232.0760
MDL Number:
MFCD17012445
IUPAC Name:
4-bromonaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H6BrN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChI Key:
ITKIWUNXKKMMSE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)Br

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:
3.6  

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