2-(4-Bromobenzyl)-3-hydroxypropanenitrile - CAS 916322-80-0
Catalog: |
BB040290 |
Product Name: |
2-(4-Bromobenzyl)-3-hydroxypropanenitrile |
CAS: |
916322-80-0 |
Synonyms: |
2-[(4-bromophenyl)methyl]-3-hydroxypropanenitrile; 2-[(4-bromophenyl)methyl]-3-hydroxypropanenitrile |
IUPAC Name: | 2-[(4-bromophenyl)methyl]-3-hydroxypropanenitrile |
Description: | 2-(4-Bromobenzyl)-3-hydroxypropanenitrile (CAS# 916322-80-0) is a useful research chemical. |
Molecular Weight: | 240.10 |
Molecular Formula: | C10H10BrNO |
Canonical SMILES: | C1=CC(=CC=C1CC(CO)C#N)Br |
InChI: | InChI=1S/C10H10BrNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2 |
InChI Key: | MRTRLRJFEAWKDS-UHFFFAOYSA-N |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.99458 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.99458 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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