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Home > Bromides > 2138196-27-5
2138196-27-5 | 4-bromo-5-iodo-1-methyl-1H-pyrazole
CAS No: 2138196-27-5 Catalog No: AG01ELBP MDL No:MFCD30615838
Product Description
Catalog Number:
AG01ELBP
Chemical Name:
4-bromo-5-iodo-1-methyl-1H-pyrazole
CAS Number:
2138196-27-5
Molecular Formula:
C4H4BrIN2
Molecular Weight:
286.8964
MDL Number:
MFCD30615838
IUPAC Name:
4-bromo-5-iodo-1-methylpyrazole
InChI:
InChI=1S/C4H4BrIN2/c1-8-4(6)3(5)2-7-8/h2H,1H3
InChI Key:
CBDGEVUWTIOTOH-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1I)Br
Properties
Complexity:
90.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.86g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.898g/mol
Monoisotopic Mass:
285.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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