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1289387-38-7 | 3-Azetidinecarboxylic acid, 1-[(2-fluorophenyl)methyl]-
CAS No: 1289387-38-7 Catalog No: AG000YMJ MDL No:MFCD18837580
Product Description
Catalog Number:
AG000YMJ
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(2-fluorophenyl)methyl]-
CAS Number:
1289387-38-7
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD18837580
IUPAC Name:
1-[(2-fluorophenyl)methyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C11H12FNO2/c12-10-4-2-1-3-8(10)5-13-6-9(7-13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChI Key:
JTTUTTJHLWTABB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)Cc1ccccc1F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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