Home Other Building Blocks 2-[3-(difluoromethoxy)-4-methoxyphenyl]ethan-1-amine

2-[3-(difluoromethoxy)-4-methoxyphenyl]ethan-1-amine

CAS No.:
823234-69-1
Catalog Number:
AG01A91Y
Molecular Formula:
C10H13F2NO2
Molecular Weight:
217.2125
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Product Description
Catalog Number:
AG01A91Y
Chemical Name:
2-[3-(difluoromethoxy)-4-methoxyphenyl]ethan-1-amine
CAS Number:
823234-69-1
Molecular Formula:
C10H13F2NO2
Molecular Weight:
217.2125
MDL Number:
MFCD09814408
IUPAC Name:
2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanamine
InChI:
InChI=1S/C10H13F2NO2/c1-14-8-3-2-7(4-5-13)6-9(8)15-10(11)12/h2-3,6,10H,4-5,13H2,1H3
InChI Key:
WBMGERDZFKGHCN-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)OC(F)F)OC
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.216g/mol
Monoisotopic Mass:
217.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties