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2060027-44-1 | 7-{[ethyl(methyl)amino]methyl}-2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS No: 2060027-44-1 Catalog No: AG01BPFD MDL No:MFCD30500181
Product Description
Catalog Number:
AG01BPFD
Chemical Name:
7-{[ethyl(methyl)amino]methyl}-2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS Number:
2060027-44-1
Molecular Formula:
C12H13F2NO3
Molecular Weight:
257.2333
MDL Number:
MFCD30500181
IUPAC Name:
7-[[ethyl(methyl)amino]methyl]-2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C12H13F2NO3/c1-3-15(2)6-8-4-5-9(7-16)11-10(8)17-12(13,14)18-11/h4-5,7H,3,6H2,1-2H3
InChI Key:
XOWYKJGLVMYYSF-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(c2c1OC(O2)(F)F)C=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.237g/mol
Monoisotopic Mass:
257.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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