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Home Aldehydes 2,2-difluoro-7-(hydroxymethyl)-2H-1,3-benzodioxole-4-carbaldehyde

2,2-difluoro-7-(hydroxymethyl)-2H-1,3-benzodioxole-4-carbaldehyde

CAS No.:
1955531-94-8
Catalog Number:
AG01B564
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
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Product Description
Catalog Number:
AG01B564
Chemical Name:
2,2-difluoro-7-(hydroxymethyl)-2H-1,3-benzodioxole-4-carbaldehyde
CAS Number:
1955531-94-8
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
MDL Number:
MFCD29991939
IUPAC Name:
2,2-difluoro-7-(hydroxymethyl)-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C9H6F2O4/c10-9(11)14-7-5(3-12)1-2-6(4-13)8(7)15-9/h1-3,13H,4H2
InChI Key:
NAXBNESTUKVELW-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1OC(O2)(F)F)C=O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.14g/mol
Monoisotopic Mass:
216.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties