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Home > Bromides > 1190862-70-4
1190862-70-4 | 3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, ethyl ester
CAS No: 1190862-70-4 Catalog No: AG000I54 MDL No:MFCD19440560
Product Description
Catalog Number:
AG000I54
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, ethyl ester
CAS Number:
1190862-70-4
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD19440560
IUPAC Name:
ethyl 5-bromo-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO2/c1-3-13-9(12)7-4-8(10)6(2)11-5-7/h4-5H,3H2,1-2H3
InChI Key:
AFNPRVLCAREGEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(c(c1)Br)C
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:
2.2
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