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84752-04-5 | 7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile, 2-chloro-
CAS No: 84752-04-5 Catalog No: AG004YAP MDL No:
Product Description
Catalog Number:
AG004YAP
Chemical Name:
7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile, 2-chloro-
CAS Number:
84752-04-5
Molecular Formula:
C7H6ClNO
Molecular Weight:
155.5816
IUPAC Name:
2-chloro-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C7H6ClNO/c8-7(4-9)3-5-1-2-6(7)10-5/h1-2,5-6H,3H2
InChI Key:
PPXCEQHKPHIUJU-UHFFFAOYSA-N
SMILES:
ClC1(CC2OC1C=C2)C#N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.581g/mol
Monoisotopic Mass:
155.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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