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147610-97-7 | 7-Azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dichloro-2-oxo-, phenylMethyl ester
CAS No: 147610-97-7 Catalog No: AG001F1A MDL No:
Product Description
Catalog Number:
AG001F1A
Chemical Name:
7-Azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dichloro-2-oxo-, phenylMethyl ester
CAS Number:
147610-97-7
Molecular Formula:
C16H17Cl2NO3
Molecular Weight:
342.2171
IUPAC Name:
benzyl 3,3-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C16H17Cl2NO3/c17-16(18)13(20)10-15(16)6-8-19(9-7-15)14(21)22-11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChI Key:
KBFLVQKLJWLZKA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(=O)C2(Cl)Cl)OCc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.216g/mol
Monoisotopic Mass:
341.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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