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Home > Bromides > 1214387-79-7
1214387-79-7 | 4-Pyridinecarboxylic acid, 3-bromo-5-chloro-, ethyl ester
CAS No: 1214387-79-7 Catalog No: AG0014Z7 MDL No:
Product Description
Catalog Number:
AG0014Z7
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-5-chloro-, ethyl ester
CAS Number:
1214387-79-7
Molecular Formula:
C8H7BrClNO2
Molecular Weight:
264.5037
IUPAC Name:
ethyl 3-bromo-5-chloropyridine-4-carboxylate
InChI:
InChI=1S/C8H7BrClNO2/c1-2-13-8(12)7-5(9)3-11-4-6(7)10/h3-4H,2H2,1H3
InChI Key:
OBPQHNOYXBZPLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)cncc1Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.503g/mol
Monoisotopic Mass:
262.935g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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