Home Other Building Blocks 3-[(2,6-difluorophenyl)carbamoyl]propanoic acid

3-[(2,6-difluorophenyl)carbamoyl]propanoic acid

CAS No.:
1153935-43-3
Catalog Number:
AG01B4GK
Molecular Formula:
C10H9F2NO3
Molecular Weight:
229.1802
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Product Description
Catalog Number:
AG01B4GK
Chemical Name:
3-[(2,6-difluorophenyl)carbamoyl]propanoic acid
CAS Number:
1153935-43-3
Molecular Formula:
C10H9F2NO3
Molecular Weight:
229.1802
MDL Number:
MFCD12189871
IUPAC Name:
4-(2,6-difluoroanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9F2NO3/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChI Key:
KDCXZLAJPWEMGO-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(F)cccc1F)CCC(=O)O
Properties
Complexity:
263  
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:
0.1  
Properties