Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > (4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl)methanol
1393442-08-4 structure

(4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl)methanol

Iupac Name:2-(2-bromoethoxy)aniline;hydrochloride
CAS No.:1393442-08-4
Molecular Weight:252.536
Molecular Formula:C15H17N3O3 (isomer)
Names and Identifiers
Synonyms

AK254530 AKOS027285671

Inchi
InChI=1S/C8H10BrNO.ClH/c9-5-6-11-8-4-2-1-3-7(8)10;/h1-4H,5-6,10H2;1H
InChkey
MGAJSKCZCYNTBM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)N)OCCBr.Cl
Computational chemical data
  • Molecular Weight:252.536g/mol
  • Molecular Formula:C15H17N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:250.971
  • Monoisotopic Mass:250.971
  • Complexity:110
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgBQAAABSAyhkAIwxoBABACA ACRCQACCCAAgIgAIiAAHbIgOJiKEsZuDOCDk0BEI6AeQQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAA AA==
Recommended Suppliers
  • Tel:852-852-81916999
  • Fax:
Recommended Suppliers
  • Tel:852-852-81916999
  • Fax:
 
<