2-Nitrobenzenesulphonyl chloride

CAT: 0127-OR5376-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR5376-01Size:25 g

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CAS Number

1694-92-4

Synonyms

2- (Chlorosulphonyl) nitrobenzene

MDL Number

MFCD00007430

Purity

97%

Smiles

[O-][N+](=O)c1ccccc1S(=O)(=O)Cl

Chemical Information

2-Nitrobenzenesulfonyl chloride

CAS Number	1694-92-4
PubChem CID	15540
IUPAC Name	2-nitrobenzenesulfonyl chloride
Molecular Formula	C6H4ClNO4S
Molecular Weight	221.62
XLogP	1.8
Topological Polar Surface Area	88.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	291

SMILES

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

InChI

InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H

InChIKey

WPHUUIODWRNJLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1694-92-4

CID: 15540

Formula: C6H4ClNO4S

MW: 221.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.62
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.9549565
Monoisotopic Mass	220.9549565
Topological Polar Surface Area	88.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	291
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
OR28919-01	4-Nitrobenzenesulphonyl chloride
OR11222-01	3-Nitrobenzenesulphonyl chloride
PC501516-01	2-Fluoro-4-nitrobenzenesulphonyl chloride
OR400714	2-Bromo-3-nitrobenzenesulphonyl chloride
OR400711-01	2-Bromo-4-nitrobenzenesulphonyl chloride
PC500491-01	2-Fluoro-5-nitrobenzenesulphonyl chloride
OR400739-01	2-Bromo-6-nitrobenzenesulphonyl chloride
OR21342-01	2-Methyl-5-nitrobenzenesulphonyl chloride
OR400707-01	2-Bromo-5-nitrobenzenesulphonyl chloride
OR8942-01	2-Methoxy-4-nitrobenzenesulphonyl chloride

Catalog	Name
PDA46598-01	4-Bromo-2-nitrobenzenesulphonyl chloride
ZTB66060-01	2-Bromo-4-nitrobenzenesulphonyl chloride
HDA71197	5-Fluoro-2-nitrobenzenesulphonyl chloride
TXB38884-01	5-Bromo-2-nitrobenzenesulphonyl chloride
YDA13055-01	2-Bromo-5-nitrobenzenesulphonyl chloride
WVB29036	2-Fluoro-4-nitrobenzenesulphonyl chloride
sc-277457	4-Methoxy-2-nitrobenzenesulphonyl chloride
sc-261952	4-Fluoro-3-nitrobenzenesulphonyl chloride
DXC58504-01	2-Fluoro-5-methyl-4-nitrobenzenesulphonyl chloride
GXB45826-01	3-Bromo-4-nitrobenzenesulphonyl chloride