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22949-35-5

22949-35-5 | Quinolizinium, 3-chloro-1,2,3,4-tetrahydro-6-methyl-, chloride (8CI,9CI)

CAS No: 22949-35-5 Catalog No: AG002LMK MDL No:

Product Description

Catalog Number:
AG002LMK
Chemical Name:
Quinolizinium, 3-chloro-1,2,3,4-tetrahydro-6-methyl-, chloride (8CI,9CI)
CAS Number:
22949-35-5
Molecular Formula:
C10H13Cl2N
Molecular Weight:
218.1229
IUPAC Name:
3-chloro-6-methyl-1,2,3,4-tetrahydroquinolizin-5-ium;chloride
InChI:
InChI=1S/C10H13ClN.ClH/c1-8-3-2-4-10-6-5-9(11)7-12(8)10;/h2-4,9H,5-7H2,1H3;1H/q+1;/p-1
InChI Key:
FFEZLUSIKRFQRD-UHFFFAOYSA-M
SMILES:
ClC1CCc2[n+](C1)c(C)ccc2.[Cl-]

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.121g/mol
Monoisotopic Mass:
217.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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