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2060047-58-5 | 2,2-difluoro-7-[(methylamino)methyl]-2H-1,3-benzodioxole-4-carbaldehyde
CAS No: 2060047-58-5 Catalog No: AG01BPFB MDL No:MFCD30500179
Product Description
Catalog Number:
AG01BPFB
Chemical Name:
2,2-difluoro-7-[(methylamino)methyl]-2H-1,3-benzodioxole-4-carbaldehyde
CAS Number:
2060047-58-5
Molecular Formula:
C10H9F2NO3
Molecular Weight:
229.1802
MDL Number:
MFCD30500179
IUPAC Name:
2,2-difluoro-7-(methylaminomethyl)-1,3-benzodioxole-4-carbaldehyde
InChI:
InChI=1S/C10H9F2NO3/c1-13-4-6-2-3-7(5-14)9-8(6)15-10(11,12)16-9/h2-3,5,13H,4H2,1H3
InChI Key:
CNNIRTDHECRYBT-UHFFFAOYSA-N
SMILES:
CNCc1ccc(c2c1OC(O2)(F)F)C=O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.183g/mol
Monoisotopic Mass:
229.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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