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149739-36-6 | 1H-Pyrazole, 3-(3-methylphenyl)-
CAS No: 149739-36-6 Catalog No: AG001LYY MDL No:MFCD14657811
Product Description
Catalog Number:
AG001LYY
Chemical Name:
1H-Pyrazole, 3-(3-methylphenyl)-
CAS Number:
149739-36-6
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD14657811
IUPAC Name:
5-(3-methylphenyl)-1H-pyrazole
InChI:
InChI=1S/C10H10N2/c1-8-3-2-4-9(7-8)10-5-6-11-12-10/h2-7H,1H3,(H,11,12)
InChI Key:
NRWSHDHOQDSARY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1n[nH]cc1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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