AG00DLF5

5613-26-3 | 4-Bromo-2,3-dimethylbenzoic acid

AG00DLF5

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CAS Number	5613-26-3
Catalog Number	AG00DLF5(AGN-PC-0WNRYQ)
Chemical Name	4-Bromo-2,3-dimethylbenzoic acid
IUPAC Name	4-bromo-2,3-dimethylbenzoic acid
InChI	InChI=1S/C9H9BrO2/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	SAQVKZFNOGPPCH-UHFFFAOYSA-N
MDL Number	MFCD18917144
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(O)C1=CC=C(Br)C(C)=C1C
Synonyms	4-Bromo-2,3-dimethylbenzoic acid, 5613-26-3, SCHEMBL1251359, CL9009, MFCD18917144, ZINC67802588, AKOS024226852, FCH1348185, AS-46166, AX8267157, X-1449,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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