AG00IRU6

Name: methyl 4-nitro-3-(piperidin-1-yl)benzoate
Brand: Angene Chemical
SKU: AG00IRU6

1272756-51-0 | methyl 4-nitro-3-(piperidin-1-yl)benzoate

AG00IRU6

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CAS Number	1272756-51-0
Catalog Number	AG00IRU6(AGN-PC-0WAYA2)
Chemical Name	methyl 4-nitro-3-(piperidin-1-yl)benzoate
IUPAC Name	methyl 4-nitro-3-piperidin-1-ylbenzoate
InChI	InChI=1S/C13H16N2O4/c1-19-13(16)10-5-6-11(15(17)18)12(9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChI Key	GTVOKHKXEHXEHT-UHFFFAOYSA-N
MDL Number	MFCD18651769
Molecular Formula	C13H16N2O4
Molecular Weight	264.2771
SMILES	O=[N+]([O-])C2(=C(N1(CCCCC1))C=C(C(=O)OC)C=C2)
Synonyms	methyl 4-nitro-3-(piperidin-1-yl)benzoate, 1272756-51-0, methylnitropiperidinylbenzoate, CTK6I9759, MFCD18651769, ZINC63110835, AKOS015833321, BF-0711, MCULE-3677844969, RP14875, KS-000022Y4, TR-072396,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.111g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.281g/mol
Monoisotopic Mass	264.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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