2-Hydroxy-4-nitrobenzoic acid - CAS 619-19-2

Name: 2-Hydroxy-4-nitrobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031324
Product Name:	2-Hydroxy-4-nitrobenzoic acid
CAS:	619-19-2
Synonyms:	2-hydroxy-4-nitrobenzoic acid

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Computed Properties

IUPAC Name:	2-hydroxy-4-nitrobenzoic acid
Description:	2-Hydroxy-4-nitrobenzoic acid (CAS# 619-19-2) is a metabolite in the degradation pathway of 2-chloro-4-nitrobenzoic acid by acinetobacter strain RKJ12.
Molecular Weight:	183.12
Molecular Formula:	C7H5NO5
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])O)C(=O)O
InChI:	InChI=1S/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChI Key:	UKWUOTZGXIZAJC-UHFFFAOYSA-N
Boiling Point:	389 °C at 760 mmHg
Melting Point:	235-239 °C
Purity:	95 %
Density:	1.631 g/cm³
Appearance:	Yellow solid
MDL:	MFCD00071505
LogP:	1.52180

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.01677226
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.01677226
Rotatable Bond Count:	1
Topological Polar Surface Area:	103 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3