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19005-53-9 | 1H-Pyrazolium, 1-methyl-2-phenyl-, iodide (1:1)
CAS No: 19005-53-9 Catalog No: AG002EAC MDL No:
Product Description
Catalog Number:
AG002EAC
Chemical Name:
1H-Pyrazolium, 1-methyl-2-phenyl-, iodide (1:1)
CAS Number:
19005-53-9
Molecular Formula:
C10H13IN2
Molecular Weight:
288.1281
IUPAC Name:
1-methyl-2-phenyl-1,3-dihydropyrazol-1-ium;iodide
InChI:
InChI=1S/C10H12N2.HI/c1-11-8-5-9-12(11)10-6-3-2-4-7-10;/h2-8H,9H2,1H3;1H
InChI Key:
KYHYIEKHCAWDHB-UHFFFAOYSA-N
SMILES:
C[NH+]1C=CCN1c1ccccc1.[I-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.132g/mol
Monoisotopic Mass:
288.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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