AG004WHA

864825-81-0 | 4-Bromo-3,5-dimethylbenzamide

AG004WHA

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CAS Number	864825-81-0
Catalog Number	AG004WHA(AGN-PC-051LTP)
Chemical Name	4-Bromo-3,5-dimethylbenzamide
IUPAC Name	4-bromo-3,5-dimethylbenzamide
InChI	InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChI Key	ATWMWAQQPBRPCA-UHFFFAOYSA-N
MDL Number	MFCD07369913
Molecular Formula	C9H10BrNO
Molecular Weight	228.0858
SMILES	O=C(N)C1=CC(C)=C(Br)C(C)=C1
Synonyms	4-Bromo-3,5-dimethylbenzamide, 864825-81-0, 4-bromo-3,5-dimethyl-benzamide, Benzamide, 4-bromo-3,5-dimethyl-, PubChem23419, SCHEMBL1505378, CTK5F6841, DTXSID10649626, ATWMWAQQPBRPCA-UHFFFAOYSA-N, Benzamide,4-bromo-3,5-dimethyl-, ACT04933, ANW-48436, MFCD07369913, ZINC12648827, AKOS015920482, AC-9211, AN-7229, AS06620, FCH1326947, RP27736, AJ-62796, AS-36787, BC004927, BC676763, BR-46350, AB0007613, AX8006580, DB-076662, RT-009499, ST2418184, 4-Bromo-3,5-dimethyl-benzamide, AldrichCPR, FT-0630238, W8883, S-5421, 825B810, J-514708, C9H10BrNO, A10311, 4,4,5,5-Tetramethyl-2-(3-phenoxyphenyl)-1,3,2-dioxaborolane,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.995g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.089g/mol
Monoisotopic Mass	226.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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