Home Other Building Blocks 2-Chloro-6-fluorophenylacetic acid

2-Chloro-6-fluorophenylacetic acid

CAS No.:
37777-76-7
Catalog Number:
AG003H0I
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003H0I
Chemical Name:
2-Chloro-6-fluorophenylacetic acid
CAS Number:
37777-76-7
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD00004319
IUPAC Name:
2-(2-chloro-6-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
GUAIAAXDEJZRBP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)cccc1Cl
EC Number:
253-661-4
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties