Antitubercular agent-30

CAT: 0127-BUP10953-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10953-02Size:10 mg

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

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CAS Number

384857-54-9

Purity

=98%

Smiles

N(C(CC1=CC=CS1)=O)C2=CC=C(N(=O)=O)C=C2

Chemical Information

N-(4-nitrophenyl)-2-(thiophen-2-yl)acetamide

CAS Number	384857-54-9
PubChem CID	2970898
IUPAC Name	N-(4-nitrophenyl)-2-thiophen-2-ylacetamide
Molecular Formula	C12H10N2O3S
Molecular Weight	262.29
XLogP	2.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	311

SMILES

C1=CSC(=C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)

InChIKey

BOASBEGFXYCEPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 384857-54-9

CID: 2970898

Formula: C12H10N2O3S

MW: 262.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.29
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	262.04121336
Monoisotopic Mass	262.04121336
Topological Polar Surface Area	103 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	311
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