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342405-19-0 | 4-IODO-5-METHYL-1-PHENYL-1H-PYRAZOLE
CAS No: 342405-19-0 Catalog No: AG00BYOD MDL No:MFCD02681924
Product Description
Catalog Number:
AG00BYOD
Chemical Name:
4-IODO-5-METHYL-1-PHENYL-1H-PYRAZOLE
CAS Number:
342405-19-0
Molecular Formula:
C10H9IN2
Molecular Weight:
284.0963
MDL Number:
MFCD02681924
IUPAC Name:
4-iodo-5-methyl-1-phenylpyrazole
InChI:
InChI=1S/C10H9IN2/c1-8-10(11)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
JAKUAKSZBOSBOD-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1C)c1ccccc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.1g/mol
Monoisotopic Mass:
283.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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