2,4-Dichloro-5-nitrothiazole

CAT: 0926-HEA19042-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-HEA19042-01Size:250 mg

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CAS Number

107190-42-1

MDL Number

MFCD11131237

Smiles

C1 (=C (SC (=N1) Cl) [N+] (=O) [O-]) Cl

Molecular Formula

C3Cl2N2O2S

Molecular Weight

199.02 g/mol

Controlled

Chemical Information

2,4-Dichloro-5-nitro-1,3-thiazole

CAS Number	107190-42-1
PubChem CID	13851817
IUPAC Name	2,4-dichloro-5-nitro-1,3-thiazole
Molecular Formula	C3Cl2N2O2S
Molecular Weight	199.01
XLogP	3
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	152

SMILES

C1(=C(SC(=N1)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C3Cl2N2O2S/c4-1-2(7(8)9)10-3(5)6-1

InChIKey

UNWUPQUTAGSGOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107190-42-1

CID: 13851817

Formula: C3Cl2N2O2S

MW: 199.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.01
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	197.9057538
Monoisotopic Mass	197.9057538
Topological Polar Surface Area	87 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152
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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