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2060027-53-2 | 7-[(ethylamino)methyl]-2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS No: 2060027-53-2 Catalog No: AG01BPFC MDL No:MFCD30500180
Product Description
Catalog Number:
AG01BPFC
Chemical Name:
7-[(ethylamino)methyl]-2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde
CAS Number:
2060027-53-2
Molecular Formula:
C11H11F2NO3
Molecular Weight:
243.2067
MDL Number:
MFCD30500180
IUPAC Name:
7-(ethylaminomethyl)-2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C11H11F2NO3/c1-2-14-5-7-3-4-8(6-15)10-9(7)16-11(12,13)17-10/h3-4,6,14H,2,5H2,1H3
InChI Key:
HKKDYRDDEBKLSV-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(c2c1OC(O2)(F)F)C=O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.21g/mol
Monoisotopic Mass:
243.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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