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1852118-58-1 | 4-bromo-2-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS No: 1852118-58-1 Catalog No: AG01C8U0 MDL No:MFCD31443275
Product Description
Catalog Number:
AG01C8U0
Chemical Name:
4-bromo-2-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS Number:
1852118-58-1
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD31443275
IUPAC Name:
4-bromo-2-(3-hydroxyazetidin-1-yl)benzaldehyde
InChI:
InChI=1S/C10H10BrNO2/c11-8-2-1-7(6-13)10(3-8)12-4-9(14)5-12/h1-3,6,9,14H,4-5H2
InChI Key:
KKEAYVMAALFLBK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1N1CC(C1)O)Br
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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