| CAS Number | 25574-19-0 |
| Catalog Number | AG00I4VG(AGN-PC-0R1CW5) |
| Chemical Name | 1-(4-Bromophenyl)-3-chloropropan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-3-chloropropan-1-ol |
| InChI | InChI=1S/C9H10BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2 |
| InChI Key | STJKBOMYDGMFKB-UHFFFAOYSA-N |
| MDL Number | MFCD14531429 |
| Molecular Formula | C9H10BrClO |
| Molecular Weight | 249.5321 |
| SMILES | ClCCC(c1ccc(cc1)Br)O |
| Synonyms | 1-(4-bromophenyl)-3-chloropropan-1-ol,
25574-19-0,
Benzenemethanol, 4-bromo-alpha-(2-chloroethyl)-,
SCHEMBL1979222,
STJKBOMYDGMFKB-UHFFFAOYSA-N,
AKOS022273364,
1-(4-Bromo-phenyl)-3-chloro-propan-1-ol,
Benzenemethanol, 4-bromo-a-(2-chloroethyl)-,
CID10800638,
1-(4-bromophenyl)-3-chloro-propan-1-ol,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.532g/mol |
| Monoisotopic Mass | 247.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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