m-Aminophenyl Tosylate

CAT: 0572-TRC-A627070-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-A627070-10GSize:10 g

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CAS Number

3865-15-4

Synonyms

3-Aminophenol 4-Methylbenzenesulfonate (Ester); m-Aminophenol p-Toluenesulfonate; m-Aminophenol p-Toluenesulfonate (Ester)

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

CCOC(=O)C1N=C(c2c(F)cccc2)c3c(ccc(Cl)c3)NC1=O

Molecular Formula

C13H13NO3S

Molecular Weight

263.31

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

p-Toluenesulfonic acid 3-aminophenyl ester

CAS Number	3865-15-4
PubChem CID	12636920
IUPAC Name	(3-aminophenyl) 4-methylbenzenesulfonate
Molecular Formula	C13H13NO3S
Molecular Weight	263.31
XLogP	2.7
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	355

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N

InChI

InChI=1S/C13H13NO3S/c1-10-5-7-13(8-6-10)18(15,16)17-12-4-2-3-11(14)9-12/h2-9H,14H2,1H3

InChIKey

RUZVAAMFWWVKGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3865-15-4

CID: 12636920

Formula: C13H13NO3S

MW: 263.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	263.31
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	263.06161445
Monoisotopic Mass	263.06161445
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	355
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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m-Aminophenyl Tosylate

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