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339100-95-7 | 1-(2-Chloropyridin-3-yl)-3,3-dimethylazetidin-2-one
CAS No: 339100-95-7 Catalog No: AG003CU4 MDL No:
Product Description
Catalog Number:
AG003CU4
Chemical Name:
1-(2-Chloropyridin-3-yl)-3,3-dimethylazetidin-2-one
CAS Number:
339100-95-7
Molecular Formula:
C10H11ClN2O
Molecular Weight:
210.6601
IUPAC Name:
1-(2-chloropyridin-3-yl)-3,3-dimethylazetidin-2-one
InChI:
InChI=1S/C10H11ClN2O/c1-10(2)6-13(9(10)14)7-4-3-5-12-8(7)11/h3-5H,6H2,1-2H3
InChI Key:
FDKCNYDPODUNGI-UHFFFAOYSA-N
SMILES:
O=C1N(CC1(C)C)c1cccnc1Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.661g/mol
Monoisotopic Mass:
210.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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