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17635-44-8 | 1H-Pyrazole, 3,4,5-tribromo-
CAS No: 17635-44-8 Catalog No: AG0024LM MDL No:MFCD00040248
Product Description
Catalog Number:
AG0024LM
Chemical Name:
1H-Pyrazole, 3,4,5-tribromo-
CAS Number:
17635-44-8
Molecular Formula:
C3HBr3N2
Molecular Weight:
304.7654
MDL Number:
MFCD00040248
IUPAC Name:
3,4,5-tribromo-1H-pyrazole
InChI:
InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)
InChI Key:
TXQKCKQJBGFUBF-UHFFFAOYSA-N
SMILES:
Brc1[nH]nc(c1Br)Br
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.767g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.767g/mol
Monoisotopic Mass:
301.769g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 2,4,5-Tribromo-1H-imidazole in the egg masses of three muricid molluscs. | Natural product research 20041001 |
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