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132061-75-7 | Pyridinium, 2-bromo-1-[[[4-(dimethylamino)phenyl]methylene]amino]-6-methyl-, perchlorate (1:1)
CAS No: 132061-75-7 Catalog No: AG00104W MDL No:
Product Description
Catalog Number:
AG00104W
Chemical Name:
Pyridinium, 2-bromo-1-[[[4-(dimethylamino)phenyl]methylene]amino]-6-methyl-, perchlorate (1:1)
CAS Number:
132061-75-7
Molecular Formula:
C15H17BrClN3O4
Molecular Weight:
418.6702
IUPAC Name:
4-[(2-bromo-6-methylpyridin-1-ium-1-yl)iminomethyl]-N,N-dimethylaniline;perchlorate
InChI:
InChI=1S/C15H17BrN3.ClHO4/c1-12-5-4-6-15(16)19(12)17-11-13-7-9-14(10-8-13)18(2)3;2-1(3,4)5/h4-11H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QTVYEDOZHBMASD-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN(c1ccc(cc1)C=N[n+]1c(C)cccc1Br)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.009g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.672g/mol
Monoisotopic Mass:
417.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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