Ethyl 4-hydroxy-3-nitrobenzoate

CAT: 0127-OR110385-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR110385-01Size:1 g

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CAS Number

19013-10-6

MDL Number

MFCD00016999

Purity

=95%

Smiles

CCOC(=O)c1ccc(O)c(c1)[N+](=O)[O-]

Chemical Information

Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester

CAS Number	19013-10-6
PubChem CID	87895
IUPAC Name	ethyl 4-hydroxy-3-nitrobenzoate
Molecular Formula	C9H9NO5
Molecular Weight	211.17
XLogP	2.7
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	249

SMILES

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

InChI

InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3

InChIKey

FBHJNBWUGONVNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19013-10-6

CID: 87895

Formula: C9H9NO5

MW: 211.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.17
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	211.04807239
Monoisotopic Mass	211.04807239
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249
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
OR200073-01	Ethyl 3-hydroxy-4-nitrobenzoate
OR1043043-01	Ethyl 2-hydroxy-4-nitrobenzoate
OR111201-01	Ethyl 3-bromo-4-hydroxy-5-nitrobenzoate
OR1039365-01	Ethyl 2-hydroxy-3-nitrobenzoate
OR52185-01	Ethyl 4-nitrobenzoate
OR110386-01	Methyl 4-hydroxy-3-nitrobenzoate
OR14421-01	Methyl 3-hydroxy-4-nitrobenzoate
OR24990-01	Ethyl 4-chloro-3-nitrobenzoate
OR110364-01	Ethyl 4-methyl-3-nitrobenzoate
OR318054-01	Ethyl 4-ethoxy-3-nitrobenzoate

Catalog	Name
E917985	Ethyl 3-Hydroxy-4-nitrobenzoate
sc-269121	Ethyl 4-hydroxy-3-nitrobenzoate
E11170-01	Ethyl-4-hydroxy-3-nitrobenzoate 95%
FE70177-01	Ethyl 3-hydroxy-2-nitrobenzoate
TRC-E937558-10G	Ethyl 4-Nitrobenzoate
449266-01	Ethyl 4-hydrazinyl-3-nitrobenzoate
449190-01	Ethyl 4- (cyclopropylamino) -3-nitrobenzoate
449186-01	Ethyl 4- (butylamino) -3-nitrobenzoate
sc-269102	Ethyl 4-acetamido-3-nitrobenzoate
sc-337784	Ethyl 4-fluoro-3-nitrobenzoate