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178264-57-8 | 3-Pyridinecarboxylic acid, 6-(bromomethyl)-, ethyl ester
CAS No: 178264-57-8 Catalog No: AG0025VP MDL No:MFCD10566281
Product Description
Catalog Number:
AG0025VP
Chemical Name:
3-Pyridinecarboxylic acid, 6-(bromomethyl)-, ethyl ester
CAS Number:
178264-57-8
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD10566281
IUPAC Name:
ethyl 6-(bromomethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2,5H2,1H3
InChI Key:
LPVLWROJDKJMST-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)CBr
Properties
Complexity:
175
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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