AG00I80C

Name: 4-Bromo-3-methyl-5-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG00I80C

408533-82-4 | 4-Bromo-3-methyl-5-nitrobenzoic acid

AG00I80C

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CAS Number	408533-82-4
Catalog Number	AG00I80C(AGN-PC-03H72N)
Chemical Name	4-Bromo-3-methyl-5-nitrobenzoic acid
IUPAC Name	4-bromo-3-methyl-5-nitrobenzoic acid
InChI	InChI=1S/C8H6BrNO4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	WYNYRBQJISZOGZ-UHFFFAOYSA-N
MDL Number	MFCD25963262
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	[O-][N+](=O)c1cc(cc(c1Br)C)C(=O)O
Synonyms	4-Bromo-3-methyl-5-nitrobenzoic acid, 408533-82-4, 4-bromo-3-methyl-5-nitro-benzoic acid, SCHEMBL4200723, WYNYRBQJISZOGZ-UHFFFAOYSA-N, 4-Bromo-5-methyl-3-nitrobenzoic acid, ZINC132084048, Benzoic acid, 4-bromo-3-methyl-5-nitro-,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.948g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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