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Home > Bromides > 1365271-81-3
1365271-81-3 | Propanedioic acid, 2-(5-bromo-3-cyano-2-pyridinyl)-, 1,3-dimethyl ester
CAS No: 1365271-81-3 Catalog No: AG0011YS MDL No:MFCD21609704
Product Description
Catalog Number:
AG0011YS
Chemical Name:
Propanedioic acid, 2-(5-bromo-3-cyano-2-pyridinyl)-, 1,3-dimethyl ester
CAS Number:
1365271-81-3
Molecular Formula:
C11H9BrN2O4
Molecular Weight:
313.1042
MDL Number:
MFCD21609704
IUPAC Name:
dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
InChI:
InChI=1S/C11H9BrN2O4/c1-17-10(15)8(11(16)18-2)9-6(4-13)3-7(12)5-14-9/h3,5,8H,1-2H3
InChI Key:
FRLUYRQJDNDOEF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.975g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.107g/mol
Monoisotopic Mass:
311.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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