AG00DKO5

439937-55-0 | 5-Bromo-2-ethylbenzoicacid

AG00DKO5

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CAS Number	439937-55-0
Catalog Number	AG00DKO5(AGN-PC-077WRZ)
Chemical Name	5-Bromo-2-ethylbenzoicacid
IUPAC Name	5-bromo-2-ethylbenzoic acid
InChI	InChI=1S/C9H9BrO2/c1-2-6-3-4-7(10)5-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key	RJJFAACSONNSDX-UHFFFAOYSA-N
MDL Number	MFCD16619423
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(O)C1=CC(Br)=CC=C1CC
Synonyms	5-Bromo-2-ethylbenzoic acid, 439937-55-0, 5-BROMO-2-ETHYLBENZOICACID, 2-ethyl-5-bromobenzoic acid, CTK8B7643, DTXSID90659622, 6074AB, ANW-58031, MFCD16619423, ZINC51943801, AKOS016002967, AS-46357, AJ-111865, TC-146776, FT-0730126, C9H9BrO2,

Complexity	170
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	2
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number