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Home > Aldehydes > 1550887-04-1
1550887-04-1 | 5-fluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS No: 1550887-04-1 Catalog No: AG01C9PO MDL No:MFCD28639663
Product Description
Catalog Number:
AG01C9PO
Chemical Name:
5-fluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS Number:
1550887-04-1
Molecular Formula:
C8H5FO3
Molecular Weight:
168.1219
MDL Number:
MFCD28639663
IUPAC Name:
5-fluoro-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C8H5FO3/c9-6-1-2-7-8(5(6)3-10)12-4-11-7/h1-3H,4H2
InChI Key:
PPNDECOBTADBFJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)ccc2c1OCO2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.123g/mol
Monoisotopic Mass:
168.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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