3-Bromocyclobutanecarboxylic Acid - CAS 1378752-12-5
Catalog: |
BB074017 |
Product Name: |
3-Bromocyclobutanecarboxylic Acid |
CAS: |
1378752-12-5 |
Synonyms: |
3-bromocyclobutane-1-carboxylic acid; trans-3-bromocyclobutanecarboxylic acid; 3-Bromocyclobutanecarboxylic acid; (1r,3r)-3-bromocyclobutane-1-carboxylic acid, trans; (1r,3r)-3-bromocyclobutane-1-carboxylic acid; Rel-(1s,3s)-3-bromocyclobutane-1-carboxylic acid |
IUPAC Name: | 3-bromocyclobutane-1-carboxylic acid |
Molecular Weight: | 179.01 |
Molecular Formula: | C5H7BrO2 |
Canonical SMILES: | C1C(CC1Br)C(=O)O |
InChI: | InChI=1S/C5H7BrO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8) |
InChI Key: | AZXXMCROALAIRS-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 107 |
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: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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