| CAS Number | 16900-53-1 |
| Catalog Number | AG001YFP(AGN-PC-0LDUIJ) |
| Chemical Name | 3-bromoprop-2-ynoic acid |
| IUPAC Name | 3-bromoprop-2-ynoic acid |
| InChI | InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6) |
| InChI Key | ZSHNFLCNZCPFAB-UHFFFAOYSA-N |
| MDL Number | MFCD27939325 |
| Molecular Formula | C3HBrO2 |
| Molecular Weight | 148.9428 |
| SMILES | C(#CBr)C(=O)O |
| Synonyms | Bromopropiolic acid,
3-bromoprop-2-ynoic Acid,
16900-53-1,
3-bromopropiolic acid,
2-Propynoic acid, 3-bromo-,
AC1NELTV,
SCHEMBL592247,
CTK0E5130,
DTXSID70404677,
ZINC5282283,
AKOS006380870,
NE22671,
DB-009273,
FT-0757517,
CID4594279,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.943g/mol |
| Monoisotopic Mass | 147.916g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number