Home Halogens 3-chloroadamantane-1-carbonitrile

3-chloroadamantane-1-carbonitrile

CAS No.:
90812-27-4
Catalog Number:
AG01A4Y8
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
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Product Description
Catalog Number:
AG01A4Y8
Chemical Name:
3-chloroadamantane-1-carbonitrile
CAS Number:
90812-27-4
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
MDL Number:
MFCD00222947
IUPAC Name:
3-chloroadamantane-1-carbonitrile
InChI:
InChI=1S/C11H14ClN/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9H,1-6H2
InChI Key:
WEGYYUWQZAELJZ-UHFFFAOYSA-N
SMILES:
N#CC12CC3CC(C1)CC(C2)(C3)Cl
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.081g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.69g/mol
Monoisotopic Mass:
195.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties