1-(4-Bromophenyl)-3-chloropropan-1-ol - CAS 25574-19-0
Catalog: |
BB071307 |
Product Name: |
1-(4-Bromophenyl)-3-chloropropan-1-ol |
CAS: |
25574-19-0 |
Synonyms: |
1-(4-bromophenyl)-3-chloropropan-1-ol; 1-(4-Bromo-phenyl)-3-chloro-propan-1-ol; 4-Bromo-alpha-(2-chloroethyl)benzenemethanol |
IUPAC Name: | 1-(4-bromophenyl)-3-chloropropan-1-ol |
Description: | 1-(4-Bromophenyl)-3-chloropropan-1-ol |
Molecular Weight: | 249.53 |
Molecular Formula: | C9H10BrClO |
Canonical SMILES: | C1=CC(=CC=C1C(CCCl)O)Br |
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 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.96036 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.96036 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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