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1858653-60-7 | 5-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)benzaldehyde
CAS No: 1858653-60-7 Catalog No: AG01C8V3 MDL No:MFCD31443307
Product Description
Catalog Number:
AG01C8V3
Chemical Name:
5-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)benzaldehyde
CAS Number:
1858653-60-7
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD31443307
IUPAC Name:
5-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H12ClNO2/c1-11(15)6-13(7-11)10-3-2-9(12)4-8(10)5-14/h2-5,15H,6-7H2,1H3
InChI Key:
ABNLGAAKOVBWHI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1N1CC(C1)(C)O
Properties
Complexity:
253
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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