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21971-21-1

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Basic Information
CAS No.: 21971-21-1
Name: 2-Chloro-4-methoxybenzoic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 21971-21-1 (2-Chloro-4-methoxybenzoic acid)
Formula: C8H7ClO3
Molecular Weight: 186.595
Synonyms: p-Anisicacid, 2-chloro- (8CI);
Density: 1.353 g/cm3
Melting Point: 210.0 to 214.0 °C
Boiling Point: 303.039 °C at 760 mmHg
Flash Point: 137.074 °C
PSA: 46.53000
LogP: 2.04680
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    21971-21-1

    2-Chloro-4-methoxy-benzoic acid

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    21971-21-1

    2-Chloro-4-methoxybenzoic acid

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Chemistry

Product Name: 2-Chloro-4-methoxybenzoic acid (CAS NO.21971-21-1)

Molecular Formula: C8H7ClO3
Molecular Weight: 186.59g/mol
Mol File: 21971-21-1.mol
Boiling point: 303.039 °C at 760 mmHg
Flash Point: 137.074 °C
Density: 1.353 g/cm3
Surface Tension: 47.434 dyne/cm
Enthalpy of Vaporization: 57.369 kJ/mol
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 2-Chloro-4-methoxybenzoic acid (CAS NO.21971-21-1):
  IUPAC Name: 2-chloro-4-methoxybenzoic acid
  Canonical SMILES: COC1=CC(=C(C=C1)C(=O)O)Cl
  InChI: InChI=1S/C8H7ClO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) 
  InChIKey: IBANGHTVBPZCHF-UHFFFAOYSA-N
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts