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1071510-50-3 | 5-FLUORO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
CAS No: 1071510-50-3 Catalog No: AG01BUGY MDL No:MFCD24686499
Product Description
Catalog Number:
AG01BUGY
Chemical Name:
5-FLUORO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
CAS Number:
1071510-50-3
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD24686499
IUPAC Name:
5-fluoro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
InChI:
InChI=1S/C9H7FO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,5H,3-4H2
InChI Key:
MSJADAGWGVADGK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1F)OCCO2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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