| CAS Number | 113372-68-2 |
| Catalog Number | AG0094OR(AGN-PC-00O769) |
| Chemical Name | (3-Chloro-4-nitrophenyl)methanol |
| IUPAC Name | (3-chloro-4-nitrophenyl)methanol |
| InChI | InChI=1S/C7H6ClNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-3,10H,4H2 |
| InChI Key | ZJVGZPXKLAORCY-UHFFFAOYSA-N |
| MDL Number | MFCD11848698 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | OCC1=CC(Cl)=C([N+]([O-])=O)C=C1 |
| Synonyms | (3-CHLORO-4-NITROPHENYL)METHANOL,
113372-68-2,
3-Chloro-4-nitro-benzenemethanol,
3-Chloro-4-nitrobenzyl alcohol,
SCHEMBL10270605,
ZINC34165573,
NE46959,
SC-36595,
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| 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 | 1.5 |
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Certificate of Analysis
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