Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > chembl575719
237424-17-8 structure

chembl575719

Iupac Name:2,3-difluoro-4-(trifluoromethyl)benzoic acid
CAS No.:237424-17-8
Molecular Weight:226.102
Molecular Formula:C14H19N3S (isomer)
Names and Identifiers
Synonyms

3-(dihydroxyboryl)-5-benzamidobenzoic acid 3-benzamido-5-boronobenzoic acid bdbm50300660

Inchi
InChI=1S/C8H3F5O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)
InChkey
URRNELYPUJPPFT-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C(=C1C(=O)O)F)F)C(F)(F)F
Properties
Vapour
0.0194mmHg at 25°C
Refractive Index
1.443
Safety and Handling
HazardClass
IRRITANT
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 237424-17-8 EC: chembl575719 ·ECHA C&L Inventory for CAS: CAS: 237424-17-8 EC: chembl575719
Computational chemical data
  • Molecular Weight:226.102g/mol
  • Molecular Formula:C14H19N3S
  • Compound Is Canonicalized:True
  • Exact Mass:226.005
  • Monoisotopic Mass:226.005
  • Complexity:252
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:15
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcQBwMcAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAACAAADACAmBgwCIAAAgCI AiDSCAACAAAkAAAIiAEACMgIJjKAFBCAcQAkwAEImYeIyDCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-311-80800737
  • Fax:86-0311-89830448
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-(10)-6969-6397
  • Fax:+86-(10)-6969-6397
Recommended Suppliers
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-311-80800737
  • Fax:86-0311-89830448
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-(10)-6969-6397
  • Fax:+86-(10)-6969-6397
 
<