200,000+ products from a single source!
sales@angenechem.com
98027-52-2 | 1H-Pyrazole, 1-acetyl-4-iodo-
CAS No: 98027-52-2 Catalog No: AG00IK0P MDL No:MFCD09744025
Product Description
Catalog Number:
AG00IK0P
Chemical Name:
1H-Pyrazole, 1-acetyl-4-iodo-
CAS Number:
98027-52-2
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD09744025
IUPAC Name:
1-(4-iodopyrazol-1-yl)ethanone
InChI:
InChI=1S/C5H5IN2O/c1-4(9)8-3-5(6)2-7-8/h2-3H,1H3
InChI Key:
VQBDZJOQOOMNRZ-UHFFFAOYSA-N
SMILES:
CC(=O)n1cc(cn1)I
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.