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Home > Bromides > 1805556-57-3
1805556-57-3 | 3-Pyridinecarboxylic acid, 6-bromo-4-methyl-, ethyl ester
CAS No: 1805556-57-3 Catalog No: AG00223L MDL No:
Product Description
Catalog Number:
AG00223L
Chemical Name:
3-Pyridinecarboxylic acid, 6-bromo-4-methyl-, ethyl ester
CAS Number:
1805556-57-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
ethyl 6-bromo-4-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO2/c1-3-13-9(12)7-5-11-8(10)4-6(7)2/h4-5H,3H2,1-2H3
InChI Key:
PXMWRABNXRIBLO-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)ncc1C(=O)OCC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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