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113700-12-2 | Pyridinium, 1-(1-chloropropyl)-, chloride (1:1)
CAS No: 113700-12-2 Catalog No: AG0009DN MDL No:
Product Description
Catalog Number:
AG0009DN
Chemical Name:
Pyridinium, 1-(1-chloropropyl)-, chloride (1:1)
CAS Number:
113700-12-2
Molecular Formula:
C8H11Cl2N
Molecular Weight:
192.0856
IUPAC Name:
1-(1-chloropropyl)pyridin-1-ium;chloride
InChI:
InChI=1S/C8H11ClN.ClH/c1-2-8(9)10-6-4-3-5-7-10;/h3-8H,2H2,1H3;1H/q+1;/p-1
InChI Key:
OTZKLMGKACNVGN-UHFFFAOYSA-M
SMILES:
CCC([n+]1ccccc1)Cl.[Cl-]
Properties
Complexity:
89.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.083g/mol
Monoisotopic Mass:
191.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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