| CAS Number | 73088-11-6 |
| Catalog Number | AG00FHE0(AGN-PC-0NJ869) |
| Chemical Name | 2-(2-chloro-4-nitrophenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-4-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H6ClNO4/c9-7-4-6(10(13)14)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12) |
| InChI Key | BYVVWINDBFSBQK-UHFFFAOYSA-N |
| MDL Number | MFCD11036396 |
| Molecular Formula | C8H6ClNO4 |
| Molecular Weight | 215.5905 |
| SMILES | O=C(O)CC1=CC=C([N+]([O-])=O)C=C1Cl |
| Synonyms | 2-(2-chloro-4-nitrophenyl)acetic acid,
73088-11-6,
SCHEMBL1625718,
BYVVWINDBFSBQK-UHFFFAOYSA-N,
(2-chloro-4-nitrophenyl)acetic acid,
5187AJ,
ZINC22199906,
AKOS011242326,
Benzeneacetic acid, 2-chloro-4-nitro-,
MCULE-4497449290,
NE32169,
(2-Chloro-4-nitro-phenyl)-acetic acid,
SY030687,
EN300-80502,
MFCD11036396 (95%),
Z1259341127,
C8H6ClNO4,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.589g/mol |
| Monoisotopic Mass | 214.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number