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Home Nitriles 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo

2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo

CAS No.:
6945-87-5
Catalog Number:
AG006DA0
Molecular Formula:
C8H8ClN
Molecular Weight:
153.6088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG006DA0
Chemical Name:
2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile, mix. of endo/exo
CAS Number:
6945-87-5
Molecular Formula:
C8H8ClN
Molecular Weight:
153.6088
MDL Number:
MFCD01566417
IUPAC Name:
2-chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C8H8ClN/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7H,3-4H2
InChI Key:
UCYKNDOOVFKJKU-UHFFFAOYSA-N
SMILES:
ClC1(CC2CC1C=C2)C#N
NSC Number:
52586
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.609g/mol
Monoisotopic Mass:
153.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties