| CAS Number | 402561-69-7 |
| Catalog Number | AG00I7WC(AGN-PC-0RMIBN) |
| Chemical Name | (3,5-dichloropyridin-4-yl)(phenyl)methanol |
| IUPAC Name | (3,5-dichloropyridin-4-yl)-phenylmethanol |
| InChI | InChI=1S/C12H9Cl2NO/c13-9-6-15-7-10(14)11(9)12(16)8-4-2-1-3-5-8/h1-7,12,16H |
| InChI Key | KYCIZKAWIZEYNS-UHFFFAOYSA-N |
| MDL Number | MFCD11100924 |
| Molecular Formula | C12H9Cl2NO |
| Molecular Weight | 254.1120 |
| SMILES | OC(C1=CC=CC=C1)C1=C(Cl)C=NC=C1Cl |
| Synonyms | (3,5-DICHLOROPYRIDIN-4-YL)(PHENYL)METHANOL,
402561-69-7,
CTK6H3662,
AR3677,
MFCD11100924,
AS-45660,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.11g/mol |
| Monoisotopic Mass | 253.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number