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87779-05-3

87779-05-3 | 5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-bromo-7-(chloromethyl)-

CAS No: 87779-05-3 Catalog No: AG004KYR MDL No:

Product Description

Catalog Number:
AG004KYR
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-bromo-7-(chloromethyl)-
CAS Number:
87779-05-3
Molecular Formula:
C7H4BrClN2OS
Molecular Weight:
279.5415
IUPAC Name:
6-bromo-7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C7H4BrClN2OS/c8-5-4(3-9)10-7-11(6(5)12)1-2-13-7/h1-2H,3H2
InChI Key:
WICNINLGRDCYDD-UHFFFAOYSA-N
SMILES:
ClCc1nc2sccn2c(=O)c1Br

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.892g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.536g/mol
Monoisotopic Mass:
277.892g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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