| CAS Number | 51282-56-5 |
| Catalog Number | AG00I96R(AGN-PC-0JTMSF) |
| Chemical Name | Ethyl 5-chloro-2-nitrobenzoate |
| IUPAC Name | ethyl 5-chloro-2-nitrobenzoate |
| InChI | InChI=1S/C9H8ClNO4/c1-2-15-9(12)7-5-6(10)3-4-8(7)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | RICLVXMCOVKPRW-UHFFFAOYSA-N |
| MDL Number | MFCD06204330 |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.6171 |
| SMILES | CCOC(C1=C([N+]([O-])=O)C=CC(Cl)=C1)=O |
| Synonyms | Ethyl 5-chloro-2-nitrobenzoate,
51282-56-5,
Ethyl-5-chloro-2-nitrobenzoate,
RICLVXMCOVKPRW-UHFFFAOYSA-N,
Benzoic acid, 5-chloro-2-nitro-, ethyl ester,
AC1LCNNB,
SCHEMBL267821,
ZINC32222470,
AKOS008948328,
NE18127,
5-Chloro-2-nitrobenzoic acid ethyl ester,
AJ-85064,
5-chloro-2-nitro-benzoic acid ethyl ester,
FT-0744382,
TL80090452,
CID603450,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.616g/mol |
| Monoisotopic Mass | 229.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number