Home Other Building Blocks 4-(difluoromethoxy)-3,5-dimethylbenzoic acid

4-(difluoromethoxy)-3,5-dimethylbenzoic acid

CAS No.:
1039927-58-6
Catalog Number:
AG01AGNI
Molecular Formula:
C10H10F2O3
Molecular Weight:
216.1814
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Product Description
Catalog Number:
AG01AGNI
Chemical Name:
4-(difluoromethoxy)-3,5-dimethylbenzoic acid
CAS Number:
1039927-58-6
Molecular Formula:
C10H10F2O3
Molecular Weight:
216.1814
MDL Number:
MFCD11193519
IUPAC Name:
4-(difluoromethoxy)-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C10H10F2O3/c1-5-3-7(9(13)14)4-6(2)8(5)15-10(11)12/h3-4,10H,1-2H3,(H,13,14)
InChI Key:
DDQQDZZCUFMCQV-UHFFFAOYSA-N
SMILES:
FC(Oc1c(C)cc(cc1C)C(=O)O)F
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.184g/mol
Monoisotopic Mass:
216.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties