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1291487-28-9 | Propanedioic acid, 2-(5-bromo-2-pyrimidinyl)-, 1,3-dimethyl ester
CAS No: 1291487-28-9 Catalog No: AG000YWL MDL No:MFCD18837634
Product Description
Catalog Number:
AG000YWL
Chemical Name:
Propanedioic acid, 2-(5-bromo-2-pyrimidinyl)-, 1,3-dimethyl ester
CAS Number:
1291487-28-9
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
MDL Number:
MFCD18837634
IUPAC Name:
dimethyl 2-(5-bromopyrimidin-2-yl)propanedioate
InChI:
InChI=1S/C9H9BrN2O4/c1-15-8(13)6(9(14)16-2)7-11-3-5(10)4-12-7/h3-4,6H,1-2H3
InChI Key:
YXNZSTOSBATLOU-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.085g/mol
Monoisotopic Mass:
287.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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