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Home > Aldehydes > 1861174-18-6
1861174-18-6 | 3,5-difluoro-4-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS No: 1861174-18-6 Catalog No: AG01C8U5 MDL No:MFCD31443279
Product Description
Catalog Number:
AG01C8U5
Chemical Name:
3,5-difluoro-4-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS Number:
1861174-18-6
Molecular Formula:
C10H9F2NO2
Molecular Weight:
213.1808
MDL Number:
MFCD31443279
IUPAC Name:
3,5-difluoro-4-(3-hydroxyazetidin-1-yl)benzaldehyde
InChI:
InChI=1S/C10H9F2NO2/c11-8-1-6(5-14)2-9(12)10(8)13-3-7(15)4-13/h1-2,5,7,15H,3-4H2
InChI Key:
SGXBSSFFUDHJGT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)F)N1CC(C1)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.184g/mol
Monoisotopic Mass:
213.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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