AG00HF5K

Name: 5-Chloro-6-(ethoxycarbonyl)nicotinic acid
Brand: Angene Chemical
SKU: AG00HF5K

1198475-22-7 | 5-Chloro-6-(ethoxycarbonyl)nicotinic acid

AG00HF5K

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CAS Number	1198475-22-7
Catalog Number	AG00HF5K(AGN-PC-0WB0US)
Chemical Name	5-Chloro-6-(ethoxycarbonyl)nicotinic acid
IUPAC Name	5-chloro-6-ethoxycarbonylpyridine-3-carboxylic acid
InChI	InChI=1S/C9H8ClNO4/c1-2-15-9(14)7-6(10)3-5(4-11-7)8(12)13/h3-4H,2H2,1H3,(H,12,13)
InChI Key	UDGFFHKENYPIQD-UHFFFAOYSA-N
MDL Number	MFCD14581661
Molecular Formula	C9H8ClNO4
Molecular Weight	229.6171
SMILES	O=C(C1=NC=C(C(O)=O)C=C1Cl)OCC
Synonyms	5-chloro-6-(ethoxycarbonyl)nicotinic acid, 1198475-22-7, 5-chloro-6-(ethoxycarbonyl)pyridine-3-carboxylic acid, SCHEMBL519387, chloroethoxycarbonylnicotinicacid, CTK6F7566, KS-00001QAB, UDGFFHKENYPIQD-UHFFFAOYSA-N, ZX-RL002995, MFCD14581661, SBB097498, ZINC43828137, AKOS005073448, MD-0733, RP13222, OR303777, AJ-108992, TR-070751,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.616g/mol
Monoisotopic Mass	229.014g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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