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88045-88-9 | 2(1H)-Pyrimidinone, 5-chloro-1-[(1,2,5-thiadiazol-3-ylmethoxy)methyl]-
CAS No: 88045-88-9 Catalog No: AG004G3U MDL No:
Product Description
Catalog Number:
AG004G3U
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[(1,2,5-thiadiazol-3-ylmethoxy)methyl]-
CAS Number:
88045-88-9
Molecular Formula:
C8H7ClN4O2S
Molecular Weight:
258.6848
IUPAC Name:
5-chloro-1-(1,2,5-thiadiazol-3-ylmethoxymethyl)pyrimidin-2-one
InChI:
InChI=1S/C8H7ClN4O2S/c9-6-1-10-8(14)13(3-6)5-15-4-7-2-11-16-12-7/h1-3H,4-5H2
InChI Key:
WPUWBHFDVRRETF-UHFFFAOYSA-N
SMILES:
Clc1cnc(=O)n(c1)COCc1nsnc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.68g/mol
Monoisotopic Mass:
257.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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