AG01A4Z3

Name: 2-(Butan-2-ylsulfanyl)-5-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG01A4Z3

1019562-00-5 | 2-(Butan-2-ylsulfanyl)-5-nitrobenzoic acid

AG01A4Z3

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	1019562-00-5
Catalog Number	AG01A4Z3
Chemical Name	2-(Butan-2-ylsulfanyl)-5-nitrobenzoic acid
IUPAC Name	2-butan-2-ylsulfanyl-5-nitrobenzoic acid
InChI	InChI=1S/C11H13NO4S/c1-3-7(2)17-10-5-4-8(12(15)16)6-9(10)11(13)14/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key	GPRYRJVEHJCQGG-UHFFFAOYSA-N
MDL Number	MFCD11136032
Molecular Formula	C11H13NO4S
Molecular Weight	255.2902
SMILES	CC(CC)SC1=C(C(=O)O)C=C(C=C1)[N+](=O)[O-]
Synonyms	2-(butan-2-ylsulfanyl)-5-nitrobenzoic acid, 1019562-00-5, AKOS000220739, AKOS017274317, NE61647,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.057g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.288g/mol
Monoisotopic Mass	255.057g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited