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139117-31-0 | 10H-Pyrido[1,2-a]indolium, perchlorate (9CI)
CAS No: 139117-31-0 Catalog No: AG001AC1 MDL No:
Product Description
Catalog Number:
AG001AC1
Chemical Name:
10H-Pyrido[1,2-a]indolium, perchlorate (9CI)
CAS Number:
139117-31-0
Molecular Formula:
C12H10ClNO4
Molecular Weight:
267.6651
IUPAC Name:
10H-pyrido[1,2-a]indol-5-ium;perchlorate
InChI:
InChI=1S/C12H10N.ClHO4/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12;2-1(3,4)5/h1-8H,9H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GQZRWZCKYXVTKQ-UHFFFAOYSA-M
SMILES:
c1cc[n+]2c(c1)Cc1c2cccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.665g/mol
Monoisotopic Mass:
267.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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