AG01A3HL

Name: 2-(ethylsulfanyl)-5-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG01A3HL

1019613-59-2 | 2-(ethylsulfanyl)-5-nitrobenzoic acid

AG01A3HL

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CAS Number	1019613-59-2
Catalog Number	AG01A3HL
Chemical Name	2-(ethylsulfanyl)-5-nitrobenzoic acid
IUPAC Name	2-ethylsulfanyl-5-nitrobenzoic acid
InChI	InChI=1S/C9H9NO4S/c1-2-15-8-4-3-6(10(13)14)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key	IJTCOUXINTZYDS-UHFFFAOYSA-N
MDL Number	MFCD11136036
Molecular Formula	C9H9NO4S
Molecular Weight	227.2371
SMILES	CCSC1=C(C(O)=O)C=C([N+]([O-])=O)C=C1
Synonyms	2-(ethylsulfanyl)-5-nitrobenzoic acid, 1019613-59-2, ZINC19869579, AKOS000220838, NE40892,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.025g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.234g/mol
Monoisotopic Mass	227.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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