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88045-83-4 | 2(1H)-Pyrimidinone, 1-[[(4-chlorophenyl)methoxy]methyl]-5-iodo-
CAS No: 88045-83-4 Catalog No: AG004IXQ MDL No:
Product Description
Catalog Number:
AG004IXQ
Chemical Name:
2(1H)-Pyrimidinone, 1-[[(4-chlorophenyl)methoxy]methyl]-5-iodo-
CAS Number:
88045-83-4
Molecular Formula:
C12H10ClIN2O2
Molecular Weight:
376.5775
IUPAC Name:
1-[(4-chlorophenyl)methoxymethyl]-5-iodopyrimidin-2-one
InChI:
InChI=1S/C12H10ClIN2O2/c13-10-3-1-9(2-4-10)7-18-8-16-6-11(14)5-15-12(16)17/h1-6H,7-8H2
InChI Key:
RNEASYGXGBGZIA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COCn1cc(I)cnc1=O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.578g/mol
Monoisotopic Mass:
375.948g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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