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86327-93-7 | 1H-Pyrazole, 5-methyl-1-(phenylmethyl)-
CAS No: 86327-93-7 Catalog No: AG004MBA MDL No:
Product Description
Catalog Number:
AG004MBA
Chemical Name:
1H-Pyrazole, 5-methyl-1-(phenylmethyl)-
CAS Number:
86327-93-7
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-benzyl-5-methylpyrazole
InChI:
InChI=1S/C11H12N2/c1-10-7-8-12-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
AGNNZTHBTNAGLB-UHFFFAOYSA-N
SMILES:
Cc1ccnn1Cc1ccccc1
Properties
Complexity:
152
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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