Cas no 57074-21-2 (3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde)

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde structure
57074-21-2 structure
Product Name:3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde
CAS No:57074-21-2
MF:C8H7ClO3
MW:186.592381715775
MDL:MFCD06797952
CID:377799
PubChem ID:6426722
Update Time:2025-04-19

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,3-chloro-2,6-dihydroxy-4-methyl-
    • 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde
    • 3-Chlor-2,6-dihydroxy-4-methyl-benzaldehyd
    • 3-chloro-2,6-dihydroxy-4-methyl-benzaldehyde
    • Chloratranol
    • chloroatranol
    • 3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde; Chloroatranol; Benzaldehyde, 3-chloro-2,6-dihydroxy-4-methyl-
    • NS00134238
    • 3-Chloro-2,6-dihydroxy-4-methyl-benzaldehyd
    • AKOS006227919
    • Benzaldehyde, 3-chloro-2,6-dihydroxy-4-methyl-
    • D93061
    • MFCD06797952
    • CS-0359796
    • CHEBI:144135
    • SCHEMBL21333853
    • 57074-21-2
    • IOTAGSGSURFFDS-UHFFFAOYSA-N
    • AS-77056
    • DTXSID90423784
    • DB-240885
    • MDL: MFCD06797952
    • Inchi: 1S/C8H7ClO3/c1-4-2-6(11)5(3-10)8(12)7(4)9/h2-3,11-12H,1H3
    • InChI Key: IOTAGSGSURFFDS-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=O)C(=CC=1C)O)O

Computed Properties

  • Exact Mass: 186.00800
  • Monoisotopic Mass: 186.0083718g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53000
  • LogP: 1.87210

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Storage Condition:2-8°C

3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde Pricemore >>

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