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CAS Number: 220514-28-3
methyl 5-bromo-2-methyl-3-nitrobenzoate

Structure

 methyl 5-bromo-2-methyl-3-nitrobenzoate
Name: methyl 5-bromo-2-methyl-3-nitrobenzoate
Synonyms:
General Information
Product Number: 220514283

CAS Registry Number 220514-28-3
Name:
Benzoic acid, 5-?bromo-?2-?methyl-?3-?nitro-?, methyl ester
Methyl 5-bromo-2-methyl-3-nitrobenzoate

 

Chemical Formula: C9H8BrNO4
Exact Mass: 272.96
Molecular Weight: 274.07
m/z: 272.96 (100.0%), 274.96 (97.3%), 273.97 (10.0%), 275.96 (9.8%), 274.97 (1.3%), 276.97 (1.2%)

 

InChI:InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3

InChI Key:UPBDNPCJIJAMPI-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C(C=C1C(=O)OC)Br)[N+](=O)[O-]

Specification

98%
References

PCT Int. Appl. (2015), WO 2015200650 A1 20151230.                                  

PCT Int. Appl. (2015), WO 2015193768 A1 20151223.
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