| CAS Number | 61002-52-6 |
| Catalog Number | AG00EEJS(AGN-PC-0NIGMA) |
| Chemical Name | 3-Chloro-4’-hydroxybenzophenone |
| IUPAC Name | (3-chlorophenyl)-(4-hydroxyphenyl)methanone |
| InChI | InChI=1S/C13H9ClO2/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,15H |
| InChI Key | RFARANORDJNAEK-UHFFFAOYSA-N |
| MDL Number | MFCD16316858 |
| Molecular Formula | C13H9ClO2 |
| Molecular Weight | 232.6624 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)O |
| Synonyms | 61002-52-6,
3-Chloro-4'-hydroxybenzophenone,
3-Chlorophenyl 4-hydroxyphenyl ketone,
4-(3-chlorobenzoyl)phenol,
SCHEMBL7488057,
DTXSID10486255,
3-Chloro-4 ?hydroxybenzophenone,
RFARANORDJNAEK-UHFFFAOYSA-N,
ZINC39204287,
4-Hydroxyphenyl(3-chlorophenyl)methanone,
(3-Chlorophenyl)(4-hydroxyphenyl)methanone,
FT-0664723,
3-Chloro-4 inverted exclamation mark -hydroxybenzophenone,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.663g/mol |
| Monoisotopic Mass | 232.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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