Home Other Building Blocks 4-CHLORO-5-IODO-1-METHYL-1H-PYRAZOLE

4-CHLORO-5-IODO-1-METHYL-1H-PYRAZOLE

CAS No.:
1516855-00-7
Catalog Number:
AG01BJRI
Molecular Formula:
C4H4ClIN2
Molecular Weight:
242.4454
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Product Description
Catalog Number:
AG01BJRI
Chemical Name:
4-CHLORO-5-IODO-1-METHYL-1H-PYRAZOLE
CAS Number:
1516855-00-7
Molecular Formula:
C4H4ClIN2
Molecular Weight:
242.4454
IUPAC Name:
4-chloro-5-iodo-1-methylpyrazole
InChI:
InChI=1S/C4H4ClIN2/c1-8-4(6)3(5)2-7-8/h2H,1H3
InChI Key:
YNAIJQPDBMCIMK-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1I)Cl
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:
241.911g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.444g/mol
Monoisotopic Mass:
241.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties