Cas no 1006494-84-3 (1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid)

1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid structure
1006494-84-3 structure
Product Name:1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid
CAS No:1006494-84-3
MF:C11H9ClN2O2
MW:236.654361486435
MDL:MFCD06805384
CID:3059095
PubChem ID:19620034
Update Time:2025-04-21

1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Chloro-benzyl)-1H-pyrazole-4-carboxylic acid
    • 1-(3-Chloro-benzyl)-1H-pyrazole-4-carboxylicacid
    • 1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid
    • DB-017195
    • EN300-92661
    • 1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylic acid
    • MFCD06805384
    • 1-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxylic acid
    • 1-[(3-chlorophenyl)methyl]pyrazole-4-carboxylic acid
    • 1006494-84-3
    • GQB49484
    • STK350151
    • AKOS000309092
    • BBL040309
    • 1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylicacid
    • CS-0264368
    • DS-019961
    • SCHEMBL14692463
    • MDL: MFCD06805384
    • Inchi: 1S/C11H9ClN2O2/c12-10-3-1-2-8(4-10)6-14-7-9(5-13-14)11(15)16/h1-5,7H,6H2,(H,15,16)
    • InChI Key: NLYKYYBEGQPGJL-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)CN1C=C(C(=O)O)C=N1

Computed Properties

  • Exact Mass: 236.0352552Da
  • Monoisotopic Mass: 236.0352552Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 262
  • 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
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 452.2±30.0 °C at 760 mmHg
  • Flash Point: 227.3±24.6 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

1-(3-chlorophenyl)methyl-1H-pyrazole-4-carboxylic acid Security Information

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