AG00CJ9P

Name: Ethyl 3-nitro-4-(propylamino)benzoate
Brand: Angene Chemical
SKU: AG00CJ9P

312922-00-2 | Ethyl 3-nitro-4-(propylamino)benzoate

AG00CJ9P

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CAS Number	312922-00-2
Catalog Number	AG00CJ9P(AGN-PC-00U77W)
Chemical Name	Ethyl 3-nitro-4-(propylamino)benzoate
IUPAC Name	ethyl 3-nitro-4-(propylamino)benzoate
InChI	InChI=1S/C12H16N2O4/c1-3-7-13-10-6-5-9(12(15)18-4-2)8-11(10)14(16)17/h5-6,8,13H,3-4,7H2,1-2H3
InChI Key	OXQMLLNIKRQKNQ-UHFFFAOYSA-N
MDL Number	MFCD02089291
Molecular Formula	C12H16N2O4
Molecular Weight	252.2664
SMILES	CCCNC1=C([N+]([O-])=O)C=C(C(OCC)=O)C=C1
Synonyms	ethyl 3-nitro-4-(propylamino)benzoate, 312922-00-2, MLS000689268, SMR000311066, Oprea1_841768, CHEMBL1549532, BDBM90356, cid_16189275, HMS2731L13, ZINC3913743, AKOS002113258, MCULE-3373962795, CJ-11218, V5085, 3-nitro-4-(propylamino)benzoic acid ethyl ester, SR-01000575249, SR-01000575249-1, C12H16N2O4,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.111g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.27g/mol
Monoisotopic Mass	252.111g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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