| CAS Number | 269731-55-7 |
| Catalog Number | AG007M9R(AGN-PC-0NHUS8) |
| Chemical Name | 4-Bromo-2-propoxybenzoic acid |
| IUPAC Name | 4-bromo-2-propoxybenzoic acid |
| InChI | InChI=1S/C10H11BrO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13) |
| InChI Key | RDOBBDKYPTZFCM-UHFFFAOYSA-N |
| MDL Number | MFCD11619323 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CCCOc1cc(Br)ccc1C(=O)O |
| Synonyms | 4-BROMO-2-PROPOXYBENZOIC ACID,
269731-55-7,
ACMC-209gug,
CTK4F8840,
DTXSID20478000,
Benzoic acid, 4-bromo-2-propoxy-,
ANW-26102,
MFCD11619323,
ZINC37025619,
AKOS009397851,
AJ-93630,
BBV-14850743,
4-Bromo-2-propoxybenzoic acid, AldrichCPR,
AX8243440,
TR-036322,
V4826,
I01-10920,
4-Bromo-2-propoxybenzoicacid,
C10H11BrO3,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number