Methyl 5-hydroxy-2-nitrobenzoate - CAS 59216-77-2

Catalog:	BB056512
Product Name:	Methyl 5-hydroxy-2-nitrobenzoate
CAS:	59216-77-2
Synonyms:	methyl 5-hydroxy-2-nitrobenzoate; 5-Hydroxy-2-nitrobenzoic acid methyl ester; methyl 5-hydroxy-2-nitro-benzoate; methyl5-hydroxy-2-nitrobenzoate; methyl-5-hydroxy-2-nitrobenzoate; 3-(Methoxycarbonyl)-4-nitrophenol

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-hydroxy-2-nitrobenzoate
Description:	Methyl 5-hydroxy-2-nitrobenzoate
Molecular Weight:	197.15
Molecular Formula:	C8H7NO5
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)O)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO5/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,10H,1H3
InChI Key:	VYLLCOXNYMTKMD-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-111825713-A	Preparation method and application of hapten and complete antigen for diethoxy thiophosphate organophosphorus pesticide	20200722
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.03242232
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.03242232
Rotatable Bond Count:	2
Topological Polar Surface Area:	92.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3