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1515965-05-5 | 1-[2-(ethanesulfonyl)ethyl]-3-iodo-4-methyl-1H-pyrazole
CAS No: 1515965-05-5 Catalog No: AG01BFHE MDL No:MFCD23769091
Product Description
Catalog Number:
AG01BFHE
Chemical Name:
1-[2-(ethanesulfonyl)ethyl]-3-iodo-4-methyl-1H-pyrazole
CAS Number:
1515965-05-5
Molecular Formula:
C8H13IN2O2S
Molecular Weight:
328.1705
MDL Number:
MFCD23769091
IUPAC Name:
1-(2-ethylsulfonylethyl)-3-iodo-4-methylpyrazole
InChI:
InChI=1S/C8H13IN2O2S/c1-3-14(12,13)5-4-11-6-7(2)8(9)10-11/h6H,3-5H2,1-2H3
InChI Key:
KRNSLHLJFHFLQY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CCn1cc(c(n1)I)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.168g/mol
Monoisotopic Mass:
327.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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