N-(3-chlorophenyl)(propan-2-yloxy)carboximidic acid

• ChemBase ID: 103334
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: CC(C)O/C(=N/c1cccc(Cl)c1)/O
• Canonical SMILES: CC(O/C(=N/c1cccc(c1)Cl)/O)C
• InChI: InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
• InChIKey: CWJSHJJYOPWUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chlorophenyl)(propan-2-yloxy)carboximidic acid
• IUPAC Traditional name: chlorpropham
• Synonyms: Chloro-IPC; Chlorpropham; Chloropropham; ISOPROPYL-N-(3-CHLORO-PHENYL)-CARBAMATE

Database IDs

• CAS Number: 101-21-3
• EC Number: 202-925-7
• PubChem SID: 162091285
• PubChem CID: 2728

CALCULATED PROPERTIES

• Acid pKa: 5.2152767
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4359937
• LogD (pH = 7.4): 1.7337171
• Log P: 3.902065
• Molar Refractivity: 57.5408 cm^3
• Polarizability: 21.597403 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Vapor Pressure: 7.5 x 10-6 mm Hg at25 °C (estimated)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: FD8050000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02151363

Purity: 99%
Light tan crystals Inhibits plant metabolism