Benzyl 2-Hydroxy-5-nitrobenzoate

CAT: 0024-sc-503476Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-503476Size:2.5 g

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CAS Number

155388-71-9

Chemical Information

Benzyl 2-hydroxy-5-nitrobenzoate

CAS Number	155388-71-9
PubChem CID	14974972
IUPAC Name	benzyl 2-hydroxy-5-nitrobenzoate
Molecular Formula	C14H11NO5
Molecular Weight	273.24
XLogP	4.2
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	348

SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H11NO5/c16-13-7-6-11(15(18)19)8-12(13)14(17)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2

InChIKey

DNKITKPTEJNJOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155388-71-9

CID: 14974972

Formula: C14H11NO5

MW: 273.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.24
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	273.06372245
Monoisotopic Mass	273.06372245
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	348
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
sc-269430	Methyl 2-hydroxy-5-nitrobenzoate
sc-503485	Benzyl 4-Nitrobenzoate
sc-506798	Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
sc-323380	5-Benzyl-2-hydroxy-benzaldehyde
sc-269429	Methyl 2-hydroxy-3-nitrobenzoate
sc-330427	N- (5-Benzoyl-2-hydroxy-benzyl) -2-chloro-acetamide
sc-263563	Methyl 3-bromo-4-hydroxy-5-nitrobenzoate
sc-263563A	Methyl 3-bromo-4-hydroxy-5-nitrobenzoate
sc-269432	Methyl 2-methoxy-5-nitrobenzoate
sc-263670A	Methyl 5-fluoro-2-nitrobenzoate

Catalog	Name
442440-01	Benzyl 2-Hydroxy-5-nitrobenzoate
162803	Benzyl 4-Nitrobenzoate
TRC-B987245-2.5G	Benzyl 3-Methyl-2-nitrobenzoate
442439-01	Benzyl 2-fluoro-6-nitrobenzoate
B289105	Benzyl 3-(2-(5-Methyl-2-nitrophenoxy)ethoxy)-4-nitrobenzoate
OR42141	Methyl 2- (4-benzyl-2-isopropylpiperazin-1-yl) -5-nitrobenzoate
442448-01	Benzyl 3- (2- (5-Methyl-2-nitrophenoxy) ethoxy) -4-nitrobenzoate
OR1023100-01	5-Benzyl-2-Hydroxy-3-Nitrobenzaldehyde
RLA52832-01	Benzyl 4-fluoro-3-nitrobenzoate
PC1004601-01	Benzyl 3-fluoro-4-nitrobenzoate