Methyl 5-hydroxy-2-nitrobenzoate

CAT: 1731-AL BF 0679-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BF 0679-01Size:1 mg

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CAS Number

59216-77-2

MDL Number

MFCD00100487

Purity

0.95

Smiles

COC (=O) c1cc (O) ccc1[N+] (=O) [O-]

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Methyl 5-hydroxy-2-nitrobenzoate

CAS Number	59216-77-2
PubChem CID	12922678
IUPAC Name	methyl 5-hydroxy-2-nitrobenzoate
Molecular Formula	C8H7NO5
Molecular Weight	197.14
XLogP	1.3
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)6-4-5(10)2-3-7(6)9(12)13/h2-4,10H,1H3

InChIKey

VYLLCOXNYMTKMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59216-77-2

CID: 12922678

Formula: C8H7NO5

MW: 197.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.14
XLogP3	1.3
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
AL BF 0746-01	Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
AP KR 0423-01	(1-hydroxy-9,10-dioxoanthracen-2-yl) methyl 4-nitrobenzoate
FH 1G 0165-01	Methyl 2-acetamido-6-nitrobenzoate
AL BF 1440-01	Methyl 4-methylsulfonyl-2-nitrobenzoate
FH 1G 0160-01	Methyl 2-amino-6-nitrobenzoate
FH 1G 0144-01	Ethyl 5-amino-2-nitrobenzoate
AL BI 0375-01	Ethyl 5-fluoro-2-nitrobenzoate
AL BF 0338-01	Methyl 2-hydroxy-5- (trifluoromethoxy) benzoate
AL BF 0464-01	Methyl 5-chloro-2-hydroxy-3-methylbenzoate
AL BF 1331-01	Methyl 5-chloro-2-hydroxy-4-methylbenzoate

Catalog	Name
455726-01	Methyl 5-hydroxy-2-nitrobenzoate
sc-269430	Methyl 2-hydroxy-5-nitrobenzoate
OR18043	Methyl 2-hydroxy-5-methyl-3-nitrobenzoate
455261-01	Methyl 3-Hydroxy-5-nitrobenzoate
PC100164-01	Methyl 4-fluoro-5-hydroxy-2-nitrobenzoate
PC53513-01	Methyl 2-fluoro-4-hydroxy-5-nitrobenzoate
GYB96991-01	Methyl 4-chloro-2-hydroxy-5-nitrobenzoate
OR1071330-01	Methyl 5-amino-4-hydroxy-2-nitrobenzoate
OR1060408-01	Methyl 2-bromo-4-hydroxy-5-nitrobenzoate
PC102683-01	Methyl 5-fluoro-4-hydroxy-2-nitrobenzoate