AG004UQS

Name: 4-Bromo-2-isobutoxybenzoic acid
Brand: Angene Chemical
SKU: AG004UQS

855482-59-6 | 4-Bromo-2-isobutoxybenzoic acid

AG004UQS

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CAS Number	855482-59-6
Catalog Number	AG004UQS(AGN-PC-04S2DF)
Chemical Name	4-Bromo-2-isobutoxybenzoic acid
IUPAC Name	4-bromo-2-(2-methylpropoxy)benzoic acid
InChI	InChI=1S/C11H13BrO3/c1-7(2)6-15-10-5-8(12)3-4-9(10)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key	LTNKWDTWXPWBNJ-UHFFFAOYSA-N
MDL Number	MFCD11651852
Molecular Formula	C11H13BrO3
Molecular Weight	273.1231
SMILES	CC(COc1cc(Br)ccc1C(=O)O)C
Synonyms	4-BROMO-2-ISOBUTOXYBENZOIC ACID, 855482-59-6, ACMC-209q6o, SCHEMBL4583527, CTK5F5189, DTXSID30647609, LTNKWDTWXPWBNJ-UHFFFAOYSA-N, ANW-38206, MFCD11651852, ZINC37475163, AKOS009393938, 4-Bromo-2-(2-methylpropoxy)benzoic acid, AJ-94015, TR-038012, V8112, B-4340, I01-10919, C11H13BrO3,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.126g/mol
Monoisotopic Mass	272.005g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^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