| CAS Number | 1802048-89-0 |
| Catalog Number | AG00I00R(AGN-PC-0WG3TF) |
| Chemical Name | 3-(bromomethyl)oxetane-3-carboxylic acid |
| IUPAC Name | 3-(bromomethyl)oxetane-3-carboxylic acid |
| InChI | InChI=1S/C5H7BrO3/c6-1-5(4(7)8)2-9-3-5/h1-3H2,(H,7,8) |
| InChI Key | BPGGWEZKGGFKTB-UHFFFAOYSA-N |
| MDL Number | MFCD28390315 |
| Molecular Formula | C5H7BrO3 |
| Molecular Weight | 195.0113 |
| SMILES | BrCC1(COC1)C(=O)O |
| Synonyms | 3-(Bromomethyl)oxetane-3-carboxylic acid,
1802048-89-0,
SCHEMBL16937142,
CS-D1313,
MFCD28390315,
AKOS027256260,
ZINC261506855,
AS-54803,
SY057505,
MFCD28390315 (95%),
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.012g/mol |
| Monoisotopic Mass | 193.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number