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Home > Aldehydes > 119895-68-0
119895-68-0 | 1,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-
CAS No: 119895-68-0 Catalog No: AG000PU0 MDL No:MFCD00792419
Product Description
Catalog Number:
AG000PU0
Chemical Name:
1,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-
CAS Number:
119895-68-0
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
MDL Number:
MFCD00792419
IUPAC Name:
2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
InChI Key:
NIBFJPXGNVPNHK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1OC(O2)(F)F
EC Number:
700-476-6
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.114g/mol
Monoisotopic Mass:
186.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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