| CAS Number | 34263-51-9 |
| Catalog Number | AG0033W0(AGN-PC-07AE9C) |
| Chemical Name | 4-Amino-2,3-dichlorobenzoic acid |
| IUPAC Name | 4-amino-2,3-dichlorobenzoic acid |
| InChI | InChI=1S/C7H5Cl2NO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12) |
| InChI Key | BBFIYTYIHNSBCO-UHFFFAOYSA-N |
| MDL Number | MFCD18826132 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| SMILES | NC1=C(C(=C(C(=O)O)C=C1)Cl)Cl |
| Synonyms | 4-Amino-2,3-dichlorobenzoic acid,
34263-51-9,
Benzoic acid, 4-amino-2,3-dichloro-,
SCHEMBL7375794,
MFCD18826132,
ZINC39086965,
AKOS025396421,
DS-8689,
KS-0000028T,
AK174297,
FT-0722906,
Benzoic acid, 4-amino-2,3-dichloro- (8CI,9CI),
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
\N
|
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Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number