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1269440-58-5 | PyriMidine, 2-chloro-4-[3-iodo-1-(1-Methylethyl)-1H-pyrazol-4-yl]-
CAS No: 1269440-58-5 Catalog No: AG000WG9 MDL No:
Product Description
Catalog Number:
AG000WG9
Chemical Name:
PyriMidine, 2-chloro-4-[3-iodo-1-(1-Methylethyl)-1H-pyrazol-4-yl]-
CAS Number:
1269440-58-5
Molecular Formula:
C10H10ClIN4
Molecular Weight:
348.5707
IUPAC Name:
2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
InChI:
InChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3
InChI Key:
NVQXUVPDZGMTOH-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)c1cn(nc1I)C(C)C
EC Number:
826-697-9
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.572g/mol
Monoisotopic Mass:
347.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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