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10250-60-9 | 1H-Pyrazole, 1,5-dimethyl-3-phenyl-
CAS No: 10250-60-9 Catalog No: AG0007LF MDL No:
Product Description
Catalog Number:
AG0007LF
Chemical Name:
1H-Pyrazole, 1,5-dimethyl-3-phenyl-
CAS Number:
10250-60-9
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1,5-dimethyl-3-phenylpyrazole
InChI:
InChI=1S/C11H12N2/c1-9-8-11(12-13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
AVZWCCJQQCROGD-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C)c1ccccc1
Properties
Complexity:
164
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:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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