1-Heptyloxy-2,3-difluorobenzene CAS NO.122265-84-3

1. Introduction of1-Heptyloxy-2,3-difluorobenzene 1,2-difluoro-3-heptoxybenzene (CASNO.122265-84-3)is theIUPAC Name of this product. Be…

1. Introduction of 1-Heptyloxy-2,3-difluorobenzene

1,2-difluoro-3-heptoxybenzene (CAS NO.122265-84-3) is the IUPAC Name of this product. Besides, AKOS015891218, AG-D-48326 and TL80090904 are also the name of this chemical. The detailed product information of it, please send your inquiry.

2. Properties:

(1)XLogP3-AA: 5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 7; (5)Exact Mass: 228.132572; (6)MonoIsotopic Mass: 228.132572; (7)Topological Polar Surface Area: 9.2; (8)Heavy Atom Count: 16; (9)Formal Charge: 0; (10)Complexity: 175; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 1; (18)Feature 3D Hydrophobe Count: 2; (19)Feature 3D Ring Count: 1; (20)Effective Rotor Count: 7; (21)Conformer Sampling RMSD: 0.8.

3) Descriptors of Structure

(1)InChI: InChI=1S/C13H18F2O/c1-2-3-4-5-6-10-16-12-9-7-8-11(14)13(12)15/h7-9H,2-6,10H2,1H3
(2)InChIKey: DTLNCGIPFFKTFC-UHFFFAOYSA-N
(3)Canonical SMILES: CCCCCCCOC1=C(C(=CC=C1)F)F