Home Other Building Blocks 4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid

4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid

CAS No.:
1354707-64-4
Catalog Number:
AG01AG95
Molecular Formula:
C10H6F2O3
Molecular Weight:
212.1496
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Product Description
Catalog Number:
AG01AG95
Chemical Name:
4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid
CAS Number:
1354707-64-4
Molecular Formula:
C10H6F2O3
Molecular Weight:
212.1496
MDL Number:
MFCD20402321
IUPAC Name:
(E)-4-(2,4-difluorophenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H6F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
InChI Key:
GYTCEHNGUPAFMD-ONEGZZNKSA-N
SMILES:
OC(=O)/C=C/C(=O)c1ccc(cc1F)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
212.029g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.152g/mol
Monoisotopic Mass:
212.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties