AG00CAII

Name: 3-Chloro-6-Nitrobenzo[b]thiophene-2-carboxylic acid
Brand: Angene Chemical
SKU: AG00CAII

34576-91-5 | 3-Chloro-6-Nitrobenzo[b]thiophene-2-carboxylic acid

AG00CAII

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CAS Number	34576-91-5
Catalog Number	AG00CAII(AGN-PC-0JVQ6A)
Chemical Name	3-Chloro-6-Nitrobenzo[b]thiophene-2-carboxylic acid
IUPAC Name	3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H4ClNO4S/c10-7-5-2-1-4(11(14)15)3-6(5)16-8(7)9(12)13/h1-3H,(H,12,13)
InChI Key	SHGRTMQVJAOKLV-UHFFFAOYSA-N
MDL Number	MFCD00449847
Molecular Formula	C9H4ClNO4S
Molecular Weight	257.6504
SMILES	OC(C1=C(Cl)C2=C(C=C([N+]([O-])=O)C=C2)S1)=O
Synonyms	3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid, 34576-91-5, 3-chloro-6-nitrobenzo[b]thiophene-2-carboxylic acid, 3-Chloro-6-nitro-benzo[b]thiophene-2-carboxylic acid, EN300-86955, SHGRTMQVJAOKLV-UHFFFAOYSA-N, AC1LEPLQ, BAS 00314777, C9H4ClNO4S, Cambridge id 5245478, CBDivE_008314, SCHEMBL2897835, CTK5I3637, ZINC176128, AC1Q7298, ALBB-000950, ZX-AN000938, 1007AE, MFCD00449847, STK371289, AKOS000577215, MCULE-3742168023, TR-051345, BB 0257386, ST51058790, AG-690/36005032, SR-01000367604, SR-01000367604-1, CID739867,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.955g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.644g/mol
Monoisotopic Mass	256.955g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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