Home Other Building Blocks 3-[(2,4-difluorophenyl)formamido]propanoic acid

3-[(2,4-difluorophenyl)formamido]propanoic acid

CAS No.:
949444-66-0
Catalog Number:
AG019P3M
Molecular Formula:
C10H9F2NO3
Molecular Weight:
229.1802
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Product Description
Catalog Number:
AG019P3M
Chemical Name:
3-[(2,4-difluorophenyl)formamido]propanoic acid
CAS Number:
949444-66-0
Molecular Formula:
C10H9F2NO3
Molecular Weight:
229.1802
MDL Number:
MFCD09802001
IUPAC Name:
3-[(2,4-difluorobenzoyl)amino]propanoic acid
InChI:
InChI=1S/C10H9F2NO3/c11-6-1-2-7(8(12)5-6)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15)
InChI Key:
SSYWEPJEANUKJE-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)c1ccc(cc1F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.183g/mol
Monoisotopic Mass:
229.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties