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141998-90-5 | 4-Iodo-1-phenyl-1H-pyrazole
CAS No: 141998-90-5 Catalog No: AG003LK7 MDL No:MFCD12756563
Product Description
Catalog Number:
AG003LK7
Chemical Name:
4-Iodo-1-phenyl-1H-pyrazole
CAS Number:
141998-90-5
Molecular Formula:
C9H7IN2
Molecular Weight:
270.0697
MDL Number:
MFCD12756563
IUPAC Name:
3-iodo-1-phenylpyrazole
InChI:
InChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
RJCCRXXUBFGPBW-UHFFFAOYSA-N
SMILES:
Ic1ccn(n1)c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
270.073g/mol
Monoisotopic Mass:
269.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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