MAC13772 50mg

CAT: 0628-A18788-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A18788-50Size:50 mg

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

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CAS Number

4871-40-3

Chemical Information

2-[(2-Nitrophenyl)thio]ethanohydrazide

CAS Number	4871-40-3
PubChem CID	2807216
IUPAC Name	2-(2-nitrophenyl)sulfanylacetohydrazide
Molecular Formula	C8H9N3O3S
Molecular Weight	227.24
XLogP	0.9
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	244

SMILES

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

InChI

InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)

InChIKey

CZXFCCXLFQCYBK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4871-40-3

CID: 2807216

Formula: C8H9N3O3S

MW: 227.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.24
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	227.03646233
Monoisotopic Mass	227.03646233
Topological Polar Surface Area	126 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244
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

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