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16511-47-0 | Phenanthridinium, 5-methyl-, bromide (1:1)
CAS No: 16511-47-0 Catalog No: AG001V8Z MDL No:
Product Description
Catalog Number:
AG001V8Z
Chemical Name:
Phenanthridinium, 5-methyl-, bromide (1:1)
CAS Number:
16511-47-0
Molecular Formula:
C14H12BrN
Molecular Weight:
274.1558
IUPAC Name:
5-methylphenanthridin-5-ium;bromide
InChI:
InChI=1S/C14H12N.BrH/c1-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
ONQKWJRMNBAMQN-UHFFFAOYSA-M
SMILES:
C[n+]1cc2ccccc2c2c1cccc2.[Br-]
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.161g/mol
Monoisotopic Mass:
273.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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