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197376-41-3 | 2-Pyridineacetic acid, 3-bromo-, ethyl ester
CAS No: 197376-41-3 Catalog No: AG002ASB MDL No:MFCD10566269
Product Description
Catalog Number:
AG002ASB
Chemical Name:
2-Pyridineacetic acid, 3-bromo-, ethyl ester
CAS Number:
197376-41-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD10566269
IUPAC Name:
ethyl 2-(3-bromopyridin-2-yl)acetate
InChI:
InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6H2,1H3
InChI Key:
QRYDVMPGEGDIGJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ncccc1Br
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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