| CAS Number | 678181-75-4 |
| Catalog Number | AG01AFT0 |
| Chemical Name | (3-Chloro-4-isopropoxyphenyl)methanol |
| IUPAC Name | (3-chloro-4-propan-2-yloxyphenyl)methanol |
| InChI | InChI=1S/C10H13ClO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-5,7,12H,6H2,1-2H3 |
| InChI Key | MRVXSFWBBUOXAA-UHFFFAOYSA-N |
| MDL Number | MFCD09754643 |
| Molecular Formula | C10H13ClO2 |
| Molecular Weight | 200.6620 |
| SMILES | ClC=1C=C(C=CC1OC(C)C)CO |
| Synonyms | (3-chloro-4-propan-2-yloxyphenyl)methanol,
(3-chloro-4-isopropoxyphenyl)methanol,
678181-75-4,
[3-chloro-4-(propan-2-yloxy)phenyl]methanol,
SCHEMBL3722004,
MRVXSFWBBUOXAA-UHFFFAOYSA-N,
3-chloro-4-isopropoxybenzyl alcohol,
ZINC8727806,
MFCD09754643,
AKOS000348934,
Z0387,
Q-7210,
C10H13ClO2,
(2-chloro-4-propan-2-yloxyphenyl)methanol,
219764-66-6,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.662g/mol |
| Monoisotopic Mass | 200.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number