AG005Z68

Name: Ethyl 3-bromo-5-nitrobenzoate
Brand: Angene Chemical
SKU: AG005Z68

690260-94-7 | Ethyl 3-bromo-5-nitrobenzoate

AG005Z68

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CAS Number	690260-94-7
Catalog Number	AG005Z68(AGN-PC-0589QG)
Chemical Name	Ethyl 3-bromo-5-nitrobenzoate
IUPAC Name	ethyl 3-bromo-5-nitrobenzoate
InChI	InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
InChI Key	PUBVWGDKFHIPRR-UHFFFAOYSA-N
MDL Number	MFCD09258760
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	BrC=1C=C(C(=O)OCC)C=C(C1)[N+](=O)[O-]
Synonyms	Ethyl 3-bromo-5-nitrobenzoate, 690260-94-7, Benzoic acid, 3-bromo-5-nitro-, ethyl ester, PubChem18784, ACMC-209o5j, KSC628S1R, ethyl 5-bromo-3-nitrobenzoate, SCHEMBL5095881, CTK5C8918, DTXSID70650319, PUBVWGDKFHIPRR-UHFFFAOYSA-N, KS-00000IN9, ANW-35573, CL8512, MFCD09258760, ZINC16123705, AKOS005264202, DS-1281, PS-4943, RTR-022986, 3-bromo-5-nitro-benzoic acid ethyl ester, AJ-68249, AK-72942, BC004410, BR-72942, CJ-15312, SY007496, AB0026263, DB-074090, TR-022986, 4CH-009439, Benzoicacid, 3-bromo-5-nitro-, ethyl ester, FT-0768749, ST24030557, W7889, MFCD09258760 (95%), S-2159, 3-BROMO-5-NITROBENZOIC ACID ETHYL ESTER, I01-11032, C9H8BrNO4, ETHYL3-BROMO-5-NITROBENZOATE,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.964g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.07g/mol
Monoisotopic Mass	272.964g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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