Methyl 3-hydroxy-2-nitrobenzoate

CAT: 0127-OR70011-02Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR70011-02Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

89942-77-8

Synonyms

3- (Methoxycarbonyl) -2-nitrophenol, 2-Hydroxy-6- (methoxycarbonyl) nitrobenzene

MDL Number

MFCD09951956

Purity

97%

Smiles

COC(=O)c1cccc(O)c1[N+](=O)[O-]

Storage Conditions

Store at -20°C

Chemical Information

Methyl 3-hydroxy-2-nitrobenzoate

CAS Number	89942-77-8
PubChem CID	13659833
IUPAC Name	methyl 3-hydroxy-2-nitrobenzoate
Molecular Formula	C8H7NO5
Molecular Weight	197.14
XLogP	1.9
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	236

SMILES

COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3

InChIKey

FHCNMPYMCKHBTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89942-77-8

CID: 13659833

Formula: C8H7NO5

MW: 197.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.14
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	197.03242232
Monoisotopic Mass	197.03242232
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR41007-01	Methyl 2-hydroxy-3-nitrobenzoate
OR18043	Methyl 2-hydroxy-5-methyl-3-nitrobenzoate
OR110386-01	Methyl 4-hydroxy-3-nitrobenzoate
OR52915-01	Methyl 5-hydroxy-2-nitrobenzoate
OR18576-01	Methyl 2-hydroxy-4-nitrobenzoate
OR85220-01	Methyl 2-hydroxy-6-nitrobenzoate
OR14421-01	Methyl 3-hydroxy-4-nitrobenzoate
OR87362-01	Methyl 4-hydroxy-2-nitrobenzoate
OR52897-01	Methyl 3-hydroxy-5-nitrobenzoate
PC501171-01	Methyl 5-fluoro-2-hydroxy-3-nitrobenzoate

Catalog	Name
283079-01	Methyl 2-hydroxy-3-nitrobenzoate
455255-01	Methyl 3-hydroxy-2-nitrobenzoate
455726-01	Methyl 5-hydroxy-2-nitrobenzoate
RG-E140480-01	Methyl 2-hydroxy-4-nitrobenzoate
455261-01	Methyl 3-Hydroxy-5-nitrobenzoate
455259-01	Methyl 3-hydroxy-4-nitrobenzoate
sc-279394	Methyl 4-hydroxy-3-nitrobenzoate
DHA75850-01	Methyl 4-hydroxy-2-nitrobenzoate
sc-269430	Methyl 2-hydroxy-5-nitrobenzoate
AL BF 0746-01	Methyl 5-bromo-2-hydroxy-3-nitrobenzoate