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88313-03-5 | Phenanthridinium, 5-methyl-6-(4-methylphenyl)-, chloride
CAS No: 88313-03-5 Catalog No: AG0048P9 MDL No:
Product Description
Catalog Number:
AG0048P9
Chemical Name:
Phenanthridinium, 5-methyl-6-(4-methylphenyl)-, chloride
CAS Number:
88313-03-5
Molecular Formula:
C21H18ClN
Molecular Weight:
319.8273
IUPAC Name:
5-methyl-6-(4-methylphenyl)phenanthridin-5-ium;chloride
InChI:
InChI=1S/C21H18N.ClH/c1-15-11-13-16(14-12-15)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)22(21)2;/h3-14H,1-2H3;1H/q+1;/p-1
InChI Key:
JRRJGPDVQCFHEJ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)c1[n+](C)c2ccccc2c2c1cccc2.[Cl-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.113g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.832g/mol
Monoisotopic Mass:
319.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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