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Home > Bromides > 1234217-58-3
1234217-58-3 | 4-Pyridineacetic acid, 2-bromo-, methyl ester
CAS No: 1234217-58-3 Catalog No: AG000KJI MDL No:MFCD18255863
Product Description
Catalog Number:
AG000KJI
Chemical Name:
4-Pyridineacetic acid, 2-bromo-, methyl ester
CAS Number:
1234217-58-3
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD18255863
IUPAC Name:
methyl 2-(2-bromopyridin-4-yl)acetate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)5-6-2-3-10-7(9)4-6/h2-4H,5H2,1H3
InChI Key:
UAFFLLDQVVGPDR-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccnc(c1)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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