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1238062-17-3 | 1H-Pyrazole, 3-iodo-4-phenyl-
CAS No: 1238062-17-3 Catalog No: AG000L3H MDL No:MFCD17926247
Product Description
Catalog Number:
AG000L3H
Chemical Name:
1H-Pyrazole, 3-iodo-4-phenyl-
CAS Number:
1238062-17-3
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD17926247
IUPAC Name:
5-iodo-4-phenyl-1H-pyrazole
InChI:
InChI=1S/C9H7IN2/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:
AJCZFZMBKGJTRS-UHFFFAOYSA-N
SMILES:
Ic1n[nH]cc1c1ccccc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.073g/mol
Monoisotopic Mass:
269.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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