Home Carboxys 1-[(2,6-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2,6-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

CAS No.:
1457594-17-0
Catalog Number:
AG01B226
Molecular Formula:
C11H9F2NO3
Molecular Weight:
241.1909
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Product Description
Catalog Number:
AG01B226
Chemical Name:
1-[(2,6-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CAS Number:
1457594-17-0
Molecular Formula:
C11H9F2NO3
Molecular Weight:
241.1909
MDL Number:
MFCD17436772
IUPAC Name:
1-[(2,6-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H9F2NO3/c12-6-2-1-3-7(13)8(6)14-9(15)11(4-5-11)10(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChI Key:
HHZNJFSZPFMZLL-UHFFFAOYSA-N
SMILES:
O=C(C1(CC1)C(=O)O)Nc1c(F)cccc1F
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.055g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.194g/mol
Monoisotopic Mass:
241.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties