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1216550-94-5 | Ethyl Difluoro(3-bromopyridin-2-yl)acetate
CAS No: 1216550-94-5 Catalog No: AG01FB6I MDL No:
Product Description
Catalog Number:
AG01FB6I
Chemical Name:
Ethyl Difluoro(3-bromopyridin-2-yl)acetate
CAS Number:
1216550-94-5
Molecular Formula:
C9H8BrF2NO2
Molecular Weight:
280.0661
IUPAC Name:
ethyl 2-(3-bromopyridin-2-yl)-2,2-difluoroacetate
InChI:
InChI=1S/C9H8BrF2NO2/c1-2-15-8(14)9(11,12)7-6(10)4-3-5-13-7/h3-5H,2H2,1H3
InChI Key:
ZVYSGQATUIILPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ncccc1Br)(F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.069g/mol
Monoisotopic Mass:
278.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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