AG009X8B

Name: Methyl 3-(isopropylamino)-4-nitrobenzoate
Brand: Angene Chemical
SKU: AG009X8B

1400645-23-9 | Methyl 3-(isopropylamino)-4-nitrobenzoate

AG009X8B

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CAS Number	1400645-23-9
Catalog Number	AG009X8B(AGN-PC-0WADTN)
Chemical Name	Methyl 3-(isopropylamino)-4-nitrobenzoate
IUPAC Name	methyl 4-nitro-3-(propan-2-ylamino)benzoate
InChI	InChI=1S/C11H14N2O4/c1-7(2)12-9-6-8(11(14)17-3)4-5-10(9)13(15)16/h4-7,12H,1-3H3
InChI Key	BTXXKLFDNHKKPJ-UHFFFAOYSA-N
MDL Number	MFCD22421500
Molecular Formula	C11H14N2O4
Molecular Weight	238.2399
SMILES	COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Synonyms	Methyl 3-(isopropylamino)-4-nitrobenzoate, 1400645-23-9, ZINC95495543, AKOS026673254, V3023, C11H14N2O4,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.243g/mol
Monoisotopic Mass	238.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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