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1387560-71-5 | Propanedioic acid, 2-(2-bromo-4-pyridinyl)-, 1,3-diethyl ester
CAS No: 1387560-71-5 Catalog No: AG0019HB MDL No:MFCD28154652
Product Description
Catalog Number:
AG0019HB
Chemical Name:
Propanedioic acid, 2-(2-bromo-4-pyridinyl)-, 1,3-diethyl ester
CAS Number:
1387560-71-5
Molecular Formula:
C12H14BrNO4
Molecular Weight:
316.1479
MDL Number:
MFCD28154652
IUPAC Name:
diethyl 2-(2-bromopyridin-4-yl)propanedioate
InChI:
InChI=1S/C12H14BrNO4/c1-3-17-11(15)10(12(16)18-4-2)8-5-6-14-9(13)7-8/h5-7,10H,3-4H2,1-2H3
InChI Key:
RIHUXTHFFOGHJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccnc(c1)Br)C(=O)OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.151g/mol
Monoisotopic Mass:
315.011g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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