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33601-77-3 | 3-Chloroquinuclidine hydrochloride
CAS No: 33601-77-3 Catalog No: AG003JBQ MDL No:
Product Description
Catalog Number:
AG003JBQ
Chemical Name:
3-Chloroquinuclidine hydrochloride
CAS Number:
33601-77-3
Molecular Formula:
C7H12ClN
Molecular Weight:
145.6299
IUPAC Name:
3-chloro-1-azabicyclo[2.2.2]octane;hydrochloride
InChI:
InChI=1S/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H
InChI Key:
OOMINTVSHDCDRK-UHFFFAOYSA-N
SMILES:
ClC1CN2CCC1CC2
EC Number:
251-586-1
NSC Number:
97099
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.088g/mol
Monoisotopic Mass:
181.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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