NSC-13755

CAT: 0926-FAA43024-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FAA43024-01Size:25 mg

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

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CAS Number

5430-24-0

MDL Number

MFCD25563251

Smiles

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

Molecular Formula

C7H6NO7Sb

Molecular Weight

337.88 g/mol

Controlled

Chemical Information

2-Nitro-4-stibonobenzoic acid

CAS Number	5430-24-0
PubChem CID	224895
IUPAC Name	2-nitro-4-stibonobenzoic acid
Molecular Formula	C7H6NO7Sb
Molecular Weight	337.88
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	345

SMILES

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

InChI

InChI=1S/C7H4NO4.2H2O.O.Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1,3-4H,(H,9,10);2*1H2;;/q;;;;+2/p-2

InChIKey

HUAYIYWLCZXNRE-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 5430-24-0

CID: 224895

Formula: C7H6NO7Sb

MW: 337.88

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.88
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	336.91824
Monoisotopic Mass	336.91824
Topological Polar Surface Area	141 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	345
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