| CAS Number | 79025-49-3 |
| Catalog Number | AG00ICZM(AGN-PC-02UOLW) |
| Chemical Name | 2-Amino-5-chloro-4-methoxybenzonitrile |
| IUPAC Name | 2-amino-5-chloro-4-methoxybenzonitrile |
| InChI | InChI=1S/C8H7ClN2O/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-3H,11H2,1H3 |
| InChI Key | ORCCGLHAMALPHU-UHFFFAOYSA-N |
| MDL Number | MFCD20725132 |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.6070 |
| SMILES | COC1=C(Cl)C=C(C#N)C(N)=C1 |
| Synonyms | 2-Amino-5-chloro-4-methoxybenzonitrile,
79025-49-3,
SCHEMBL11153594,
ORCCGLHAMALPHU-UHFFFAOYSA-N,
MFCD20725132,
ZINC142219916,
6-amino-3-chloro-4-methoxybenzonitrile,
AS-40004,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.607g/mol |
| Monoisotopic Mass | 182.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number