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1255147-51-3 | 1-(2,2-diethoxyethyl)-4-iodo-1H-pyrazole
CAS No: 1255147-51-3 Catalog No: AG01EL96 MDL No:MFCD18064624
Product Description
Catalog Number:
AG01EL96
Chemical Name:
1-(2,2-diethoxyethyl)-4-iodo-1H-pyrazole
CAS Number:
1255147-51-3
Molecular Formula:
C9H15IN2O2
Molecular Weight:
310.1321
MDL Number:
MFCD18064624
IUPAC Name:
1-(2,2-diethoxyethyl)-4-iodopyrazole
InChI:
InChI=1S/C9H15IN2O2/c1-3-13-9(14-4-2)7-12-6-8(10)5-11-12/h5-6,9H,3-4,7H2,1-2H3
InChI Key:
QDBACASHPVZVQK-UHFFFAOYSA-N
SMILES:
CCOC(Cn1ncc(c1)I)OCC
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.135g/mol
Monoisotopic Mass:
310.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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