Home Other Building Blocks 2-{2-[(dimethylcarbamoyl)methoxy]phenyl}-2,2-difluoroacetic acid

2-{2-[(dimethylcarbamoyl)methoxy]phenyl}-2,2-difluoroacetic acid

CAS No.:
1443981-14-3
Catalog Number:
AG01A3V6
Molecular Formula:
C12H13F2NO4
Molecular Weight:
273.2327
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Product Description
Catalog Number:
AG01A3V6
Chemical Name:
2-{2-[(dimethylcarbamoyl)methoxy]phenyl}-2,2-difluoroacetic acid
CAS Number:
1443981-14-3
Molecular Formula:
C12H13F2NO4
Molecular Weight:
273.2327
MDL Number:
MFCD24842745
IUPAC Name:
2-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2,2-difluoroacetic acid
InChI:
InChI=1S/C12H13F2NO4/c1-15(2)10(16)7-19-9-6-4-3-5-8(9)12(13,14)11(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChI Key:
VZLVQFXGPOEBTM-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)COc1ccccc1C(C(=O)O)(F)F
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.236g/mol
Monoisotopic Mass:
273.081g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties