Home Other Building Blocks Methyl 4-fluoro-3-methylbenzoate

Methyl 4-fluoro-3-methylbenzoate

CAS No.:
180636-50-4
Catalog Number:
AG00227A
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$55
- +
10g
98%
In Stock USA
United States
$95
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00227A
Chemical Name:
Methyl 4-fluoro-3-methylbenzoate
CAS Number:
180636-50-4
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD06203783
IUPAC Name:
methyl 4-fluoro-3-methylbenzoate
InChI:
InChI=1S/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChI Key:
OCDIFIYFPFLAOU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties