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1260676-05-8 | 1H-Pyrazole, 3-[(2-methylphenyl)methyl]-
CAS No: 1260676-05-8 Catalog No: AG000R1N MDL No:MFCD11109903
Product Description
Catalog Number:
AG000R1N
Chemical Name:
1H-Pyrazole, 3-[(2-methylphenyl)methyl]-
CAS Number:
1260676-05-8
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD11109903
IUPAC Name:
5-[(2-methylphenyl)methyl]-1H-pyrazole
InChI:
InChI=1S/C11H12N2/c1-9-4-2-3-5-10(9)8-11-6-7-12-13-11/h2-7H,8H2,1H3,(H,12,13)
InChI Key:
RJVYXJRVBQTOKC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cc1cc[nH]n1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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