4-Bromo-2-cyclopropylbenzoic acid | CAS No. 1561780-76-4

Basic Information

4-Bromo-2-cyclopropylbenzoic acid

CAS Number

1561780-76-4

Molecular Formula

C10H9BrO2

Molecular Weight

241.08 g/mol

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Basic Physical Properties

Boiling Point

318.6±42.0 °C(Predicted)

Density

1.649±0.06 g/cm3(Predicted)

SMILES

OC(=O)c1ccc(Br)cc1C2CC2

InChI

InChI=1S/C10H9BrO2/c11-7-3-4-8(10(12)13)9(5-7)6-1-2-6/h3-6H,1-2H2,(H,12,13)

InChIKey

AHQPJKBACPMXAP-UHFFFAOYSA-N

LogP

3.024700000000001

pKa

3.91±0.36(Predicted)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Classification & Uses

Safety Information

Synonyms & References

English

  • Benzoic acid, 4-bromo-2-cyclopropyl-
  • 4-Bromo-2-cyclopropylbenzoic acid

MDL_Number

MFCD31588710

CAS Number

1561780-76-4

Customs_Code

2916399090

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