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95162-14-4 | 4-Bromo-1-trityl-1H-pyrazole
CAS No: 95162-14-4 Catalog No: AG003KV4 MDL No:MFCD09907863
Product Description
Catalog Number:
AG003KV4
Chemical Name:
4-Bromo-1-trityl-1H-pyrazole
CAS Number:
95162-14-4
Molecular Formula:
C22H17BrN2
Molecular Weight:
389.2878
MDL Number:
MFCD09907863
IUPAC Name:
4-bromo-1-tritylpyrazole
InChI:
InChI=1S/C22H17BrN2/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:
CPENTLJGGGSVAJ-UHFFFAOYSA-N
SMILES:
Brc1cnn(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:
388.058g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.296g/mol
Monoisotopic Mass:
388.058g/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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