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1000018-61-0 | Methyl [(5-bromo-4-hydroxypyrimidin-2-yl)thio]acetate
CAS No: 1000018-61-0 Catalog No: AG01FGFC MDL No:
Product Description
Catalog Number:
AG01FGFC
Chemical Name:
Methyl [(5-bromo-4-hydroxypyrimidin-2-yl)thio]acetate
CAS Number:
1000018-61-0
IUPAC Name:
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
InChI:
InChI=1S/C7H7BrN2O3S/c1-13-5(11)3-14-7-9-2-4(8)6(12)10-7/h2H,3H2,1H3,(H,9,10,12)
InChI Key:
DJGRHIUDLDQHBX-UHFFFAOYSA-N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.936g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.108g/mol
Monoisotopic Mass:
277.936g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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