4-BRomo-3-hydroxy-2-nitrobenzoic acid

CAT: 0127-OR1052340-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052340-01Size:250 mg

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CAS Number

37524-08-6

MDL Number

MFCD03208972

Purity

95%

Smiles

OC(C1=C([N+]([O-])=O)C(O)=C(C=C1)Br)=O

Chemical Information

4-Bromo-3-hydroxy-2-nitrobenzoic acid

CAS Number	37524-08-6
PubChem CID	2308736
IUPAC Name	4-bromo-3-hydroxy-2-nitrobenzoic acid
Molecular Formula	C7H4BrNO5
Molecular Weight	262.01
XLogP	2.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	253

SMILES

C1=CC(=C(C(=C1C(=O)O)[N+](=O)[O-])O)Br

InChI

InChI=1S/C7H4BrNO5/c8-4-2-1-3(7(11)12)5(6(4)10)9(13)14/h1-2,10H,(H,11,12)

InChIKey

WZDACFAIFGWLTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37524-08-6

CID: 2308736

Formula: C7H4BrNO5

MW: 262.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.01
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	260.92728
Monoisotopic Mass	260.92728
Topological Polar Surface Area	103 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	253
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
OR22139-01	4-Hydroxy-3-nitrobenzoic acid
OR0535-01	3-Hydroxy-4-nitrobenzoic acid
OR1061922-01	5-Bromo-2-hydroxy-3-nitrobenzoic acid
OR345005-01	3-Bromo-4-nitrobenzoic acid
OR8176-01	4-Bromo-3-nitrobenzoic acid
OR345405-01	4-Hydroxy-2-nitrobenzoic acid
OR55682-01	2-Hydroxy-4-nitrobenzoic acid
OR1244-01	4-Bromo-2-nitrobenzoic acid
OR11478-01	2-Bromo-4-nitrobenzoic acid
OR94785-01	3-Hydroxy-4-methyl-2-nitrobenzoic acid

Catalog	Name
SCA17527	3-Bromo-4-hydroxy-5-nitrobenzoic acid
435417-01	5-Bromo-2-hydroxy-3-nitrobenzoic acid
425977-01	3-Hydroxy-4-nitrobenzoic Acid
TRC-H950843-25G	4-Hydroxy-3-nitrobenzoic acid
TRC-B446825-50MG	4-Hydroxy-2-nitrobenzoic Acid
H-6905-01	2-Hydroxy-4-nitrobenzoic acid
sc-251968	3-Bromo-4-nitrobenzoic acid
sc-261808	4-Bromo-3-nitrobenzoic acid