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18002-35-2 | 2(1H)-Pyrimidinone, 5-bromo-4-methoxy-1-(tetrahydro-2-furanyl)-
CAS No: 18002-35-2 Catalog No: AG0021MH MDL No:
Product Description
Catalog Number:
AG0021MH
Chemical Name:
2(1H)-Pyrimidinone, 5-bromo-4-methoxy-1-(tetrahydro-2-furanyl)-
CAS Number:
18002-35-2
Molecular Formula:
C9H11BrN2O3
Molecular Weight:
275.0992
IUPAC Name:
5-bromo-4-methoxy-1-(oxolan-2-yl)pyrimidin-2-one
InChI:
InChI=1S/C9H11BrN2O3/c1-14-8-6(10)5-12(9(13)11-8)7-3-2-4-15-7/h5,7H,2-4H2,1H3
InChI Key:
ZULBAMTUNLDXCL-UHFFFAOYSA-N
SMILES:
COc1nc(=O)n(cc1Br)C1CCCO1
NSC Number:
111563
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.102g/mol
Monoisotopic Mass:
273.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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