| CAS Number | 52516-43-5 |
| Catalog Number | AG00I9ED(AGN-PC-03DDZM) |
| Chemical Name | Benzenemethanol, 2-chloro-3-methoxy- |
| IUPAC Name | (2-chloro-3-methoxyphenyl)methanol |
| InChI | InChI=1S/C8H9ClO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3 |
| InChI Key | JYHHZWHNWLNIMT-UHFFFAOYSA-N |
| MDL Number | MFCD18393574 |
| Molecular Formula | C8H9ClO2 |
| Molecular Weight | 172.6089 |
| SMILES | OCC1=CC=CC(OC)=C1Cl |
| Synonyms | (2-Chloro-3-methoxyphenyl)methanol,
52516-43-5,
2-chloro-3-methoxybenzyl alcohol,
SCHEMBL7672640,
MFCD18393574,
ZINC82123545,
Benzenemethanol, 2-chloro-3-methoxy-,
AJ-125058,
FT-0746987,
277331-17-6,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.608g/mol |
| Monoisotopic Mass | 172.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H319
|
|
Packing Group
|
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number