Home Other Building Blocks 3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid

3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid

CAS No.:
1485705-79-0
Catalog Number:
AG01ACTI
Molecular Formula:
C12H13F2NO3
Molecular Weight:
257.2333
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Product Description
Catalog Number:
AG01ACTI
Chemical Name:
3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid
CAS Number:
1485705-79-0
Molecular Formula:
C12H13F2NO3
Molecular Weight:
257.2333
MDL Number:
MFCD20990149
IUPAC Name:
4-(3,5-difluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
InChI:
InChI=1S/C12H13F2NO3/c1-12(2,11(17)18)6-10(16)15-9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
IMPRUZOWKXAIGO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(F)cc(c1)F)CC(C(=O)O)(C)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.086g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.237g/mol
Monoisotopic Mass:
257.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties