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887590-00-3 | 1-Azetidinecarboxylicacid, 3-[[(3-fluorophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887590-00-3 Catalog No: AG004BL9 MDL No:
Product Description
Catalog Number:
AG004BL9
Chemical Name:
1-Azetidinecarboxylicacid, 3-[[(3-fluorophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887590-00-3
Molecular Formula:
C15H21FN2O2
Molecular Weight:
280.3378
IUPAC Name:
tert-butyl 3-[(3-fluoroanilino)methyl]azetidine-1-carboxylate
InChI:
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-11(10-18)8-17-13-6-4-5-12(16)7-13/h4-7,11,17H,8-10H2,1-3H3
InChI Key:
KMWIBXYVCKBZLM-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)NCC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.343g/mol
Monoisotopic Mass:
280.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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