| CAS Number | 6694-75-3 |
| Catalog Number | AG006NDW(AGN-PC-0KG2TK) |
| Chemical Name | 4-(Chloromethyl)-2-nitrophenol |
| IUPAC Name | 4-(chloromethyl)-2-nitrophenol |
| InChI | InChI=1S/C7H6ClNO3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H,4H2 |
| InChI Key | LCYZFNFGPVNDGS-UHFFFAOYSA-N |
| MDL Number | MFCD02856711 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | OC1=CC=C(CCl)C=C1[N+]([O-])=O |
| Synonyms | 4-(chloromethyl)-2-nitrophenol,
6694-75-3,
Phenol,4-(chloromethyl)-2-nitro-,
AC1M7A7Y,
SCHEMBL532173,
AC1Q786F,
CTK5C5431,
3-nitro-4-hydroxybenzyl chloride,
4-Hydroxy-3-nitrobenzyl chloride,
DTXSID40368570,
LCYZFNFGPVNDGS-UHFFFAOYSA-N,
ZINC12409069,
MCULE-9501116792,
EN300-07934,
4- -2-NITROPHENOL,
4-(chloromethyl)-2-nitro-phenol,
CID2414106,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.579g/mol |
| Monoisotopic Mass | 187.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number