AG01A3IN

Name: 2-[(2-Methylpropyl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG01A3IN

1152516-63-6 | 2-[(2-Methylpropyl)sulfanyl]-5-nitrobenzoic acid

AG01A3IN

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CAS Number	1152516-63-6
Catalog Number	AG01A3IN
Chemical Name	2-[(2-Methylpropyl)sulfanyl]-5-nitrobenzoic acid
IUPAC Name	2-(2-methylpropylsulfanyl)-5-nitrobenzoic acid
InChI	InChI=1S/C11H13NO4S/c1-7(2)6-17-10-4-3-8(12(15)16)5-9(10)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key	NUYDWBFHNODZQP-UHFFFAOYSA-N
MDL Number	MFCD10689076
Molecular Formula	C11H13NO4S
Molecular Weight	255.2902
SMILES	CC(CSC1=C(C(=O)O)C=C(C=C1)[N+](=O)[O-])C
Synonyms	2-[(2-methylpropyl)sulfanyl]-5-nitrobenzoic acid, 1152516-63-6, ZINC34937251, AKOS005202186, NE49052,

Complexity	290
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	0
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