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Home > Bromides > 1222185-12-7
1222185-12-7 | 2,4-Pyridinedicarboxylic acid, 3-bromo-, 2,4-dimethyl ester
CAS No: 1222185-12-7 Catalog No: AG0016YB MDL No:
Product Description
Catalog Number:
AG0016YB
Chemical Name:
2,4-Pyridinedicarboxylic acid, 3-bromo-, 2,4-dimethyl ester
CAS Number:
1222185-12-7
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
dimethyl 3-bromopyridine-2,4-dicarboxylate
InChI:
InChI=1S/C9H8BrNO4/c1-14-8(12)5-3-4-11-7(6(5)10)9(13)15-2/h3-4H,1-2H3
InChI Key:
HFNZJWNHJISTPX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1Br)C(=O)OC
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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