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1374658-52-2 | 1-Azetidinecarboxylic acid, 3-fluoro-3-formyl-, 1,1-dimethylethyl ester
CAS No: 1374658-52-2 Catalog No: AG0013BJ MDL No:
Product Description
Catalog Number:
AG0013BJ
Chemical Name:
1-Azetidinecarboxylic acid, 3-fluoro-3-formyl-, 1,1-dimethylethyl ester
CAS Number:
1374658-52-2
Molecular Formula:
C9H14FNO3
Molecular Weight:
203.2108
IUPAC Name:
tert-butyl 3-fluoro-3-formylazetidine-1-carboxylate
InChI:
InChI=1S/C9H14FNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h6H,4-5H2,1-3H3
InChI Key:
ISYAISBXCKGQPD-UHFFFAOYSA-N
SMILES:
O=CC1(F)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.213g/mol
Monoisotopic Mass:
203.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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