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842977-20-2 | 1-(4-Chlorobenzyl);azetidine-3-carboxylic acid
CAS No: 842977-20-2 Catalog No: AG004THW MDL No:MFCD07186512
Product Description
Catalog Number:
AG004THW
Chemical Name:
1-(4-Chlorobenzyl);azetidine-3-carboxylic acid
CAS Number:
842977-20-2
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD07186512
IUPAC Name:
1-[(4-chlorophenyl)methyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C11H12ClNO2/c12-10-3-1-8(2-4-10)5-13-6-9(7-13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChI Key:
CIGFGPCMKDFZCT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)Cc1ccc(cc1)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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