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87451-36-3 | Pyridinium, 1-methyl-4-(1H-pyrrol-1-ylmethyl)-, bromide
CAS No: 87451-36-3 Catalog No: AG004KBV MDL No:
Product Description
Catalog Number:
AG004KBV
Chemical Name:
Pyridinium, 1-methyl-4-(1H-pyrrol-1-ylmethyl)-, bromide
CAS Number:
87451-36-3
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
IUPAC Name:
1-methyl-4-(pyrrol-1-ylmethyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C11H13N2.BrH/c1-12-8-4-11(5-9-12)10-13-6-2-3-7-13;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
SREQWNVQCADOGI-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)Cn1cccc1.[Br-]
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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