AG0094BO

Name: Ethyl 4-(isopropylamino)-3-nitrobenzoate
Brand: Angene Chemical
SKU: AG0094BO

1187570-88-2 | Ethyl 4-(isopropylamino)-3-nitrobenzoate

AG0094BO

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CAS Number	1187570-88-2
Catalog Number	AG0094BO(AGN-PC-0WAD58)
Chemical Name	Ethyl 4-(isopropylamino)-3-nitrobenzoate
IUPAC Name	ethyl 3-nitro-4-(propan-2-ylamino)benzoate
InChI	InChI=1S/C12H16N2O4/c1-4-18-12(15)9-5-6-10(13-8(2)3)11(7-9)14(16)17/h5-8,13H,4H2,1-3H3
InChI Key	CVFXPNIJPTXGHR-UHFFFAOYSA-N
MDL Number	MFCD25953935
Molecular Formula	C12H16N2O4
Molecular Weight	252.2664
SMILES	CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)C
Synonyms	ETHYL 4-(ISOPROPYLAMINO)-3-NITROBENZOATE, 1187570-88-2, SCHEMBL4332105, CVFXPNIJPTXGHR-UHFFFAOYSA-N, ZINC95496129, AKOS026672482, Z8026, K-1332, C12H16N2O4,

Complexity	301
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	5
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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