(1R,2R)-2-methylcyclopropane-1-carbonyl chloride

• ChemBase ID: 52876
• Molecular Formular: C5H7ClO
• Molecular Mass: 118.56148
• Monoisotopic Mass: 118.01854252
• SMILES: C1[C@H]([C@@H]1C(=O)Cl)C
• Canonical SMILES: C[C@@H]1C[C@H]1C(=O)Cl
• InChI: InChI=1S/C5H7ClO/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3/t3-,4-/m1/s1
• InChIKey: KNSMKLZZQPGJRN-QWWZWVQMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-methylcyclopropane-1-carbonyl chloride
• IUPAC Traditional name: (1R,2R)-2-methylcyclopropane-1-carbonyl chloride
• Synonyms: (1R,2R)-2-Methylcyclopropanecarbonyl chloride

Database IDs

• CAS Number: 52194-65-7
• MDL Number: MFCD17011837
• PubChem SID: 162057639
• PubChem CID: 6995697

CALCULATED PROPERTIES

• Polarizability: 11.190289 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3767992
• LogD (pH = 7.4): 1.3767992
• Log P: 1.3767992
• Molar Refractivity: 28.45 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%