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417700-59-5 | 4-Bromo-5-cyclohexyl-1H-pyrazole
CAS No: 417700-59-5 Catalog No: AG01EVW2 MDL No:
Product Description
Catalog Number:
AG01EVW2
Chemical Name:
4-Bromo-5-cyclohexyl-1H-pyrazole
CAS Number:
417700-59-5
Molecular Formula:
C9H13BrN2
Molecular Weight:
229.1169
IUPAC Name:
4-bromo-5-cyclohexyl-1H-pyrazole
InChI:
InChI=1S/C9H13BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChI Key:
JWEHPPBHYMETMF-UHFFFAOYSA-N
SMILES:
Brc1cn[nH]c1C1CCCCC1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.121g/mol
Monoisotopic Mass:
228.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Coordination chemistry of novel scorpionate ligands based on 3-cyclohexylpyrazole and 3-cyclohexyl-4-bromopyrazole. | Inorganic chemistry 20020408 |
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