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1256813-62-3 | Ethanone, 1-(6-chloro-4-methoxy-2-pyridinyl)-
CAS No: 1256813-62-3 Catalog No: AG000OFO MDL No:
Product Description
Catalog Number:
AG000OFO
Chemical Name:
Ethanone, 1-(6-chloro-4-methoxy-2-pyridinyl)-
CAS Number:
1256813-62-3
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
1-(6-chloro-4-methoxypyridin-2-yl)ethanone
InChI:
InChI=1S/C8H8ClNO2/c1-5(11)7-3-6(12-2)4-8(9)10-7/h3-4H,1-2H3
InChI Key:
XOVSEAIQHNKWBA-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)nc(c1)C(=O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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