AG000JQJ

Name: 3-Bromo-5-isobutoxybenzoic acid
Brand: Angene Chemical
SKU: AG000JQJ

1228956-99-7 | 3-Bromo-5-isobutoxybenzoic acid

AG000JQJ

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CAS Number	1228956-99-7
Catalog Number	AG000JQJ(AGN-PC-0WA8A5)
Chemical Name	3-Bromo-5-isobutoxybenzoic acid
IUPAC Name	3-bromo-5-(2-methylpropoxy)benzoic acid
InChI	InChI=1S/C11H13BrO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key	RSRVOTBVNZYOKD-UHFFFAOYSA-N
MDL Number	MFCD16618943
Molecular Formula	C11H13BrO3
Molecular Weight	273.1231
SMILES	CC(COc1cc(Br)cc(c1)C(=O)O)C
Synonyms	3-BROMO-5-ISOBUTOXYBENZOIC ACID, 1228956-99-7, 3-bromo-5-isobutoxy-benzoic acid, 3-bromo-5-(2-methylpropoxy)benzoic acid, ACMC-209anc, SCHEMBL2176490, CTK4B3320, DTXSID30681821, RSRVOTBVNZYOKD-UHFFFAOYSA-N, ANW-18070, MFCD16618943, ZINC65337000, AKOS015834275, AJ-114952, TR-034989, Z8687, Benzoic acid, 3-bromo-5-(2-methylpropoxy)-, B-2521, I01-11021, 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	3.4

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