| CAS Number | 1260783-44-5 |
| Catalog Number | AG000R90(AGN-PC-0WAJS9) |
| Chemical Name | (2-Amino-4,6-difluorophenyl)methanol |
| IUPAC Name | (2-amino-4,6-difluorophenyl)methanol |
| InChI | InChI=1S/C7H7F2NO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3,10H2 |
| InChI Key | JJIHWRKHRPUHPR-UHFFFAOYSA-N |
| MDL Number | MFCD15528758 |
| Molecular Formula | C7H7F2NO |
| Molecular Weight | 159.1334 |
| SMILES | NC1=C(CO)C(F)=CC(F)=C1 |
| Synonyms | (2-Amino-4,6-difluorophenyl)methanol,
1260783-44-5,
2-Amino-4,6-difluorobenzyl Alcohol,
MFCD15528758,
ZINC95930667,
2-Amino-(4,6-difluorophenyl)methanol,
AKOS022178608,
FCH1167954,
Benzenemethanol, 2-amino-4,6-difluoro-,
AK145948,
AS-49901,
SY129210,
AJ-136517,
AX8283721,
MFCD15528758 (95%),
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.136g/mol |
| Monoisotopic Mass | 159.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number