Home Other Building Blocks 2-Acetyl-3,6-difluorobenzoic acid

2-Acetyl-3,6-difluorobenzoic acid

CAS No.:
319457-34-6
Catalog Number:
AG003GAV
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$184
- +
1g
98%
1 week
United States
$330
- +
5g
98%
1 week
United States
$913
- +
Product Description
Catalog Number:
AG003GAV
Chemical Name:
2-Acetyl-3,6-difluorobenzoic acid
CAS Number:
319457-34-6
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
MDL Number:
MFCD00800682
IUPAC Name:
2-acetyl-3,6-difluorobenzoic acid
InChI:
InChI=1S/C9H6F2O3/c1-4(12)7-5(10)2-3-6(11)8(7)9(13)14/h2-3H,1H3,(H,13,14)
InChI Key:
IHGWIRJWNPNDTJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1C(=O)C)F
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.141g/mol
Monoisotopic Mass:
200.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties