Home Other Building Blocks 3-(DIFLUOROMETHOXY)-4-METHYLBENZOIC ACID

3-(DIFLUOROMETHOXY)-4-METHYLBENZOIC ACID

CAS No.:
1249751-97-0
Catalog Number:
AG01DTBF
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DTBF
Chemical Name:
3-(DIFLUOROMETHOXY)-4-METHYLBENZOIC ACID
CAS Number:
1249751-97-0
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
MDL Number:
MFCD14647643
IUPAC Name:
3-(difluoromethoxy)-4-methylbenzoic acid
InChI:
InChI=1S/C9H8F2O3/c1-5-2-3-6(8(12)13)4-7(5)14-9(10)11/h2-4,9H,1H3,(H,12,13)
InChI Key:
JMFLMTHEUHPHGJ-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(ccc1C)C(=O)O)F
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.157g/mol
Monoisotopic Mass:
202.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties