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821798-42-9 | 1H-Pyrazolium, 5-chloro-2,3-dimethyl-1,4-diphenyl-, chloride
CAS No: 821798-42-9 Catalog No: AG005I5S MDL No:
Product Description
Catalog Number:
AG005I5S
Chemical Name:
1H-Pyrazolium, 5-chloro-2,3-dimethyl-1,4-diphenyl-, chloride
CAS Number:
821798-42-9
Molecular Formula:
C17H18Cl2N2
Molecular Weight:
321.2442
IUPAC Name:
5-chloro-2,3-dimethyl-1,4-diphenyl-1,3-dihydropyrazol-1-ium;chloride
InChI:
InChI=1S/C17H17ClN2.ClH/c1-13-16(14-9-5-3-6-10-14)17(18)20(19(13)2)15-11-7-4-8-12-15;/h3-13H,1-2H3;1H
InChI Key:
KHYXASFHBWJBPN-UHFFFAOYSA-N
SMILES:
ClC1=C(c2ccccc2)C(N([NH+]1c1ccccc1)C)C.[Cl-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.245g/mol
Monoisotopic Mass:
320.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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