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390356-27-1 | 3,5-DIETHYL-4-IODO-1H-PYRAZOLE
CAS No: 390356-27-1 Catalog No: AG00CA97 MDL No:MFCD07772011
Product Description
Catalog Number:
AG00CA97
Chemical Name:
3,5-DIETHYL-4-IODO-1H-PYRAZOLE
CAS Number:
390356-27-1
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD07772011
IUPAC Name:
3,5-diethyl-4-iodo-1H-pyrazole
InChI:
InChI=1S/C7H11IN2/c1-3-5-7(8)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10)
InChI Key:
HKJYPQZKGXFVJQ-UHFFFAOYSA-N
SMILES:
CCc1[nH]nc(c1I)CC
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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