200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1261931-67-2
1261931-67-2 | Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-
CAS No: 1261931-67-2 Catalog No: AG000S7N MDL No:MFCD18320320
Product Description
Catalog Number:
AG000S7N
Chemical Name:
Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-
CAS Number:
1261931-67-2
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
MDL Number:
MFCD18320320
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O4/c16-15(17,18)11-4-9(3-10(5-11)14(19)20)8-1-2-12-13(6-8)22-7-21-12/h1-6H,7H2,(H,19,20)
InChI Key:
USTWZWRWUYKZEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)c1ccc2c(c1)OCO2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.228g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.