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1333319-69-9 | Pyrimidine, 4-iodo-2-(phenylmethoxy)-
CAS No: 1333319-69-9 Catalog No: AG0014O6 MDL No:
Product Description
Catalog Number:
AG0014O6
Chemical Name:
Pyrimidine, 4-iodo-2-(phenylmethoxy)-
CAS Number:
1333319-69-9
Molecular Formula:
C11H9IN2O
Molecular Weight:
312.1064
IUPAC Name:
4-iodo-2-phenylmethoxypyrimidine
InChI:
InChI=1S/C11H9IN2O/c12-10-6-7-13-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
ZOHLJHPNLAHFOE-UHFFFAOYSA-N
SMILES:
Ic1ccnc(n1)OCc1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.11g/mol
Monoisotopic Mass:
311.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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