Home Halogens 7-chloronaphthalene-1-carbonitrile

7-chloronaphthalene-1-carbonitrile

CAS No.:
1261454-39-0
Catalog Number:
AG01DV5F
Molecular Formula:
C11H6ClN
Molecular Weight:
187.6250
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Product Description
Catalog Number:
AG01DV5F
Chemical Name:
7-chloronaphthalene-1-carbonitrile
CAS Number:
1261454-39-0
Molecular Formula:
C11H6ClN
Molecular Weight:
187.6250
MDL Number:
MFCD18410872
IUPAC Name:
7-chloronaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H6ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H
InChI Key:
PSUSJPAEWLGIKT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cc(Cl)cc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.626g/mol
Monoisotopic Mass:
187.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties