CTPI-2

CAT: 0127-BUP16272-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16272-02Size:100 mg

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

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CAS Number

68003-38-3

Purity

=95%

Smiles

OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O

Chemical Information

2-((4-Chloro-3-nitrophenyl)sulfonyl)anthranilic acid

CAS Number	68003-38-3
PubChem CID	106350
IUPAC Name	2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
Molecular Formula	C13H9ClN2O6S
Molecular Weight	356.74
XLogP	3
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	558

SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)

InChIKey

NJTHPOSQGFJTDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68003-38-3

CID: 106350

Formula: C13H9ClN2O6S

MW: 356.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.74
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	355.9869849
Monoisotopic Mass	355.9869849
Topological Polar Surface Area	138 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	558
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
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate

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