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521980-82-5 | Dimethyl 5-bromopyridine-2,3-dicarboxylate
CAS No: 521980-82-5 Catalog No: AG0039R4 MDL No:MFCD09953248
Product Description
Catalog Number:
AG0039R4
Chemical Name:
Dimethyl 5-bromopyridine-2,3-dicarboxylate
CAS Number:
521980-82-5
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD09953248
IUPAC Name:
dimethyl 5-bromopyridine-2,3-dicarboxylate
InChI:
InChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-11-7(6)9(13)15-2/h3-4H,1-2H3
InChI Key:
JYRYOIMMYLBBNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1C(=O)OC)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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