Home Other Building Blocks 4-(3,4-difluorophenyl)-2-oxobut-3-enoic acid

4-(3,4-difluorophenyl)-2-oxobut-3-enoic acid

CAS No.:
1202061-87-7
Catalog Number:
AG01BDVW
Molecular Formula:
C10H6F2O3
Molecular Weight:
212.1496
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Product Description
Catalog Number:
AG01BDVW
Chemical Name:
4-(3,4-difluorophenyl)-2-oxobut-3-enoic acid
CAS Number:
1202061-87-7
Molecular Formula:
C10H6F2O3
Molecular Weight:
212.1496
MDL Number:
MFCD24395847
IUPAC Name:
4-(3,4-difluorophenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C10H6F2O3/c11-7-3-1-6(5-8(7)12)2-4-9(13)10(14)15/h1-5H,(H,14,15)
InChI Key:
ZPKURAUIQQBQCX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)C=Cc1ccc(c(c1)F)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1  
XLogP3:
2  
Properties