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191980-54-8 | 4-Iodo-1-trityl-1H-pyrazole
CAS No: 191980-54-8 Catalog No: AG007RK8 MDL No:MFCD23135653
Product Description
Catalog Number:
AG007RK8
Chemical Name:
4-Iodo-1-trityl-1H-pyrazole
CAS Number:
191980-54-8
Molecular Formula:
C22H17IN2
Molecular Weight:
436.2883
MDL Number:
MFCD23135653
IUPAC Name:
4-iodo-1-tritylpyrazole
InChI:
InChI=1S/C22H17IN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key:
UJEYQAFIQWSUOR-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.296g/mol
Monoisotopic Mass:
436.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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