Home Other Building Blocks 3-Acetyl-4-fluorobenzoic acid

3-Acetyl-4-fluorobenzoic acid

CAS No.:
1505662-44-1
Catalog Number:
AG001MPY
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$175
- +
5g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG001MPY
Chemical Name:
3-Acetyl-4-fluorobenzoic acid
CAS Number:
1505662-44-1
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD22493249
IUPAC Name:
3-acetyl-4-fluorobenzoic acid
InChI:
InChI=1S/C9H7FO3/c1-5(11)7-4-6(9(12)13)2-3-8(7)10/h2-4H,1H3,(H,12,13)
InChI Key:
RDQMOHIQAIRPQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(=O)C)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties