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192642-95-8 | 2-Pyridineacetic acid, 3-bromo-, methyl ester
CAS No: 192642-95-8 Catalog No: AG002G6A MDL No:MFCD19707048
Product Description
Catalog Number:
AG002G6A
Chemical Name:
2-Pyridineacetic acid, 3-bromo-, methyl ester
CAS Number:
192642-95-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD19707048
IUPAC Name:
methyl 2-(3-bromopyridin-2-yl)acetate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)5-7-6(9)3-2-4-10-7/h2-4H,5H2,1H3
InChI Key:
KCXIUMHZGOAWOW-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ncccc1Br
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:
1.4
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