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851608-69-0 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methoxy-1,3-dimethyl-
CAS No: 851608-69-0 Catalog No: AG004QRM MDL No:
Product Description
Catalog Number:
AG004QRM
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methoxy-1,3-dimethyl-
CAS Number:
851608-69-0
Molecular Formula:
C7H9BrN2O3
Molecular Weight:
249.0620
IUPAC Name:
5-bromo-6-methoxy-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione
InChI:
InChI=1S/C7H10BrN2O3/c1-9-5(11)4(8)6(13-3)10(2)7(9)12/h4H,1-3H3/q+1
InChI Key:
HXPXXDWPNWKPNY-UHFFFAOYSA-N
SMILES:
COc1n(C)c(=O)n(c(=O)c1Br)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.987g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.072g/mol
Monoisotopic Mass:
248.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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