3-(Bromomethyl)oxetane-3-carboxylic Acid - CAS 1802048-89-0
Catalog: |
BB013649 |
Product Name: |
3-(Bromomethyl)oxetane-3-carboxylic Acid |
CAS: |
1802048-89-0 |
Synonyms: |
3-(bromomethyl)-3-oxetanecarboxylic acid; 3-(bromomethyl)oxetane-3-carboxylic acid |
IUPAC Name: | 3-(bromomethyl)oxetane-3-carboxylic acid |
Description: | 3-(Bromomethyl)oxetane-3-carboxylic Acid (CAS# 1802048-89-0 ) is a useful research chemical. |
Molecular Weight: | 195.01 |
Molecular Formula: | C5H7BrO3 |
Canonical SMILES: | C1C(CO1)(CBr)C(=O)O |
InChI: | InChI=1S/C5H7BrO3/c6-1-5(4(7)8)2-9-3-5/h1-3H2,(H,7,8) |
InChI Key: | BPGGWEZKGGFKTB-UHFFFAOYSA-N |
LogP: | 0.48250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019234115-A1 | Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis | 20180607 |
TW-202016090-A | Pyridyl derivatives substituted with alkoxy groups | 20180607 |
AU-2019282274-A1 | Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis | 20180607 |
CN-112236424-A | Alkoxy-substituted pyridyl derivatives | 20180607 |
EP-3802517-A1 | Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis | 20180607 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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