Home Aminos methyl 4-amino-3-(2,2-difluoroethoxy)benzoate

methyl 4-amino-3-(2,2-difluoroethoxy)benzoate

CAS No.:
1184754-51-5
Catalog Number:
AG01BV2R
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
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Product Description
Catalog Number:
AG01BV2R
Chemical Name:
methyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CAS Number:
1184754-51-5
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
MDL Number:
MFCD12807656
IUPAC Name:
methyl 4-amino-3-(2,2-difluoroethoxy)benzoate
InChI:
InChI=1S/C10H11F2NO3/c1-15-10(14)6-2-3-7(13)8(4-6)16-5-9(11)12/h2-4,9H,5,13H2,1H3
InChI Key:
KCMYRZFFXJTHIB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)OCC(F)F)N
Properties
Complexity:
238  
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:
5  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties