Home Other Building Blocks {[6-(difluoromethoxy)-2H-1,3-benzodioxol-5-yl]methyl}(methyl)amine

{[6-(difluoromethoxy)-2H-1,3-benzodioxol-5-yl]methyl}(methyl)amine

CAS No.:
1249877-56-2
Catalog Number:
AG01AKME
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
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Product Description
Catalog Number:
AG01AKME
Chemical Name:
{[6-(difluoromethoxy)-2H-1,3-benzodioxol-5-yl]methyl}(methyl)amine
CAS Number:
1249877-56-2
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
MDL Number:
MFCD16061332
IUPAC Name:
1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
InChI:
InChI=1S/C10H11F2NO3/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)16-10(11)12/h2-3,10,13H,4-5H2,1H3
InChI Key:
IVZGRRPYQYXFDD-UHFFFAOYSA-N
SMILES:
CNCc1cc2OCOc2cc1OC(F)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.199g/mol
Monoisotopic Mass:
231.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties