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1255666-44-4 | 1-Azetidinecarboxylic acid, 3-fluoro-, 1,1-dimethylethyl ester
CAS No: 1255666-44-4 Catalog No: AG000NVQ MDL No:MFCD18381086
Product Description
Catalog Number:
AG000NVQ
Chemical Name:
1-Azetidinecarboxylic acid, 3-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1255666-44-4
Molecular Formula:
C8H14FNO2
Molecular Weight:
175.2007
MDL Number:
MFCD18381086
IUPAC Name:
tert-butyl 3-fluoroazetidine-1-carboxylate
InChI:
InChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3
InChI Key:
XYHRLGJGHNPRNK-UHFFFAOYSA-N
SMILES:
FC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.203g/mol
Monoisotopic Mass:
175.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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