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20737-59-1 | 1H-Pyrazole, 3-methyl-5-phenyl-, hydrochloride (1:1)
CAS No: 20737-59-1 Catalog No: AG002J0G MDL No:
Product Description
Catalog Number:
AG002J0G
Chemical Name:
1H-Pyrazole, 3-methyl-5-phenyl-, hydrochloride (1:1)
CAS Number:
20737-59-1
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
IUPAC Name:
5-methyl-3-phenyl-1H-pyrazole;hydrochloride
InChI:
InChI=1S/C10H10N2.ClH/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;/h2-7H,1H3,(H,11,12);1H
InChI Key:
GYAMCVBKYUNOTD-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1)c1ccccc1.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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