AG00IARC

Name: 4-(Cyanosulfanyl)-3-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG00IARC

6083-79-0 | 4-(Cyanosulfanyl)-3-nitrobenzoic acid

AG00IARC

SDS

COA

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$0.00

WARNING This product is not for human or veterinary use.

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CAS Number	6083-79-0
Catalog Number	AG00IARC(AGN-PC-04XZ4H)
Chemical Name	4-(Cyanosulfanyl)-3-nitrobenzoic acid
IUPAC Name	3-nitro-4-thiocyanatobenzoic acid
InChI	InChI=1S/C8H4N2O4S/c9-4-15-7-2-1-5(8(11)12)3-6(7)10(13)14/h1-3H,(H,11,12)
InChI Key	HQDASRYDGNESOF-UHFFFAOYSA-N
MDL Number	MFCD01318041
Molecular Formula	C8H4N2O4S
Molecular Weight	224.1934
SMILES	O=C(O)C1=CC=C(SC#N)C([N+]([O-])=O)=C1
Synonyms	4-(cyanosulfanyl)-3-nitrobenzoic acid, 6083-79-0, 3-Nitro-4-thiocyanatobenzoic acid, AN-584/43417534, SCHEMBL6089975, 4-cyanothio-3-nitrobenzoic acid, CTK7D0848, HQDASRYDGNESOF-UHFFFAOYSA-N, 3-nitro-4-thiocyanato-benzoic acid, MFCD01318041, SBB096624, ZINC36719678, Benzoic acid, 3-nitro-4-thiocyanato-, AS-40052,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.19g/mol
Monoisotopic Mass	223.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	132A^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