Home Other Building Blocks 2-Chloro-5-fluoro-4-methylbenzoic acid

2-Chloro-5-fluoro-4-methylbenzoic acid

CAS No.:
103877-61-8
Catalog Number:
AG0039ZB
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$164
- +
5g
95%
1 week
United States
$419
- +
25g
95%
1 week
United States
$1180
- +
Product Description
Catalog Number:
AG0039ZB
Chemical Name:
2-Chloro-5-fluoro-4-methylbenzoic acid
CAS Number:
103877-61-8
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD18426003
IUPAC Name:
2-chloro-5-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H6ClFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
WUQWRURRTPWWGH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1Cl)C
Properties
Complexity:
186  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties