1-Bromocyclobutanecarboxylic Acid - CAS 32122-23-9
Catalog: |
BB021184 |
Product Name: |
1-Bromocyclobutanecarboxylic Acid |
CAS: |
32122-23-9 |
Synonyms: |
1-bromo-1-cyclobutanecarboxylic acid; 1-bromocyclobutane-1-carboxylic acid |
IUPAC Name: | 1-bromocyclobutane-1-carboxylic acid |
Description: | 1-Bromocyclobutanecarboxylic Acid (CAS# 32122-23-9) is a useful research chemical. |
Molecular Weight: | 179.01 |
Molecular Formula: | C5H7BrO2 |
Canonical SMILES: | C1CC(C1)(C(=O)O)Br |
InChI: | InChI=1S/C5H7BrO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8) |
InChI Key: | YREQYUFYDFSXJC-UHFFFAOYSA-N |
Boiling Point: | 249 °C at 760 mmHg |
Density: | 1.864 g/cm3 |
LogP: | 1.38860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016108035-A1 | Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof | 20130513 |
EP-2511265-A1 | Benzamide compound | 20091211 |
US-2012277208-A1 | Benzamide compound | 20091211 |
EP-2252611-A1 | (dihydro)pyrrolo[2,1-a]isoquinolines | 20080208 |
EP-2252611-B1 | (dihydro)pyrrolo[2,1-a]isoquinolines | 20080208 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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