Cas no 702670-05-1 (1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]-)

1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]- structure
702670-05-1 structure
Product Name:1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]-
CAS No:702670-05-1
MF:C12H10ClNO2
MW:235.666302204132
CID:3235407
PubChem ID:5071702
Update Time:2025-04-21

1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]- Chemical and Physical Properties

Names and Identifiers

    • 1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]-
    • 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxylic Acid
    • RS-136270
    • Q27088630
    • DTXSID401205233
    • AKOS011823849
    • 1-(3-chlorobenzyl)-1H-pyrrole-2-carboxylic acid
    • DB-389495
    • 702670-05-1
    • GTPL780
    • 1-[(3-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
    • EU-0096504
    • SCHEMBL12951306
    • Inchi： 1S/C12H10ClNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1-7H,8H2,(H,15,16)
    • InChI Key： VPTUTBZAHHDMAA-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1)CN1C=CC=C1C(=O)O

Computed Properties

  • Exact Mass: 235.0400063g/mol
  • Monoisotopic Mass: 235.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 2.7
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • Color/Form: Solid powder

1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]- Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(3-CHLOROPHENYL)METHYL]- Related Literature

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