AG019NUI

Name: 4-[(carboxymethyl)sulfanyl]-3-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG019NUI

202191-24-0 | 4-[(carboxymethyl)sulfanyl]-3-nitrobenzoic acid

AG019NUI

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CAS Number	202191-24-0
Catalog Number	AG019NUI
Chemical Name	4-[(carboxymethyl)sulfanyl]-3-nitrobenzoic acid
IUPAC Name	4-(carboxymethylsulfanyl)-3-nitrobenzoic acid
InChI	InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key	JTCYKOZBAMATGW-UHFFFAOYSA-N
MDL Number	MFCD00183080
Molecular Formula	C9H7NO6S
Molecular Weight	257.2200
SMILES	OC(CSC1=C([N+]([O-])=O)C=C(C(O)=O)C=C1)=O
Synonyms	4-[(carboxymethyl)sulfanyl]-3-nitrobenzoic acid, 202191-24-0, 4-[(carboxymethyl)thio]-3-nitrobenzoic acid, 4-Carboxymethylsulfanyl-3-nitro-benzoic acid, 2-(4-CARBOXY-2-NITROPHENYLTHIO)ACETIC ACID, 4-(carboxymethylthio)-3-nitrobenzoic acid, BAS 00245306, AC1LENF0, 4-(carboxymethylsulfanyl)-3-nitrobenzoic acid, Oprea1_207852, Oprea1_566422, AC1Q769N, CHEMBL466206, CTK7J5650, ZINC58224, MFCD00183080, SBB000958, STK370677, AKOS000117400, MCULE-3576376399, NE52322, ST50052147, EN300-11847, AF-962/02747014, SR-01000361320, SR-01000361320-1, Z56823254, CID689076,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.999g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.216g/mol
Monoisotopic Mass	256.999g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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