Home Other Building Blocks (4-iodo-1-methyl-1H-pyrazol-3-yl)methanamine

(4-iodo-1-methyl-1H-pyrazol-3-yl)methanamine

CAS No.:
1707568-56-6
Catalog Number:
AG01C1IG
Molecular Formula:
C5H8IN3
Molecular Weight:
237.0416
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Product Description
Catalog Number:
AG01C1IG
Chemical Name:
(4-iodo-1-methyl-1H-pyrazol-3-yl)methanamine
CAS Number:
1707568-56-6
Molecular Formula:
C5H8IN3
Molecular Weight:
237.0416
MDL Number:
MFCD26381189
IUPAC Name:
(4-iodo-1-methylpyrazol-3-yl)methanamine
InChI:
InChI=1S/C5H8IN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3
InChI Key:
VBIQAUOMYFCGJC-UHFFFAOYSA-N
SMILES:
NCc1nn(cc1I)C
Properties
Complexity:
98.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.976g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.044g/mol
Monoisotopic Mass:
236.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties