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847375-33-1 | Ethyl 2-(5-bromopyridin-3-yl)acetate
CAS No: 847375-33-1 Catalog No: AG004OYT MDL No:MFCD12031925
Product Description
Catalog Number:
AG004OYT
Chemical Name:
Ethyl 2-(5-bromopyridin-3-yl)acetate
CAS Number:
847375-33-1
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD12031925
IUPAC Name:
ethyl 2-(5-bromopyridin-3-yl)acetate
InChI:
InChI=1S/C9H10BrNO2/c1-2-13-9(12)4-7-3-8(10)6-11-5-7/h3,5-6H,2,4H2,1H3
InChI Key:
NKTQZLOIRUPOCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cncc(c1)Br
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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