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2059936-44-4 | 3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]benzaldehyde
CAS No: 2059936-44-4 Catalog No: AG01BYD6 MDL No:MFCD30488934
Product Description
Catalog Number:
AG01BYD6
Chemical Name:
3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]benzaldehyde
CAS Number:
2059936-44-4
Molecular Formula:
C11H6ClFN2O2
Molecular Weight:
252.6289
MDL Number:
MFCD30488934
IUPAC Name:
3-(2-chloro-5-fluoropyrimidin-4-yl)oxybenzaldehyde
InChI:
InChI=1S/C11H6ClFN2O2/c12-11-14-5-9(13)10(15-11)17-8-3-1-2-7(4-8)6-16/h1-6H
InChI Key:
FVLQVCZGSNOZKD-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1nc(Cl)ncc1F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.629g/mol
Monoisotopic Mass:
252.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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