AG00GACI

77344-70-8 | 1-(2-Bromo-5-methylphenyl)ethanone

AG00GACI

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CAS Number	77344-70-8
Catalog Number	AG00GACI(AGN-PC-0JMI0K)
Chemical Name	1-(2-Bromo-5-methylphenyl)ethanone
IUPAC Name	1-(2-bromo-5-methylphenyl)ethanone
InChI	InChI=1S/C9H9BrO/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5H,1-2H3
InChI Key	GNWZVFXHHVJNIP-UHFFFAOYSA-N
MDL Number	MFCD11695376
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
NSC Number	405624
SMILES	CC(C1=CC(C)=CC=C1Br)=O
Synonyms	1-(2-bromo-5-methylphenyl)ethanone, 77344-70-8, NSC405624, AC1L86KD, SCHEMBL136961, DTXSID30324064, ZINC1598663, MFCD11695376, AKOS000299228, NSC-405624, QC-3351, 1-(2-bromo-5-methylphenyl)ethan-1-one, Ethanone, 1-(2-bromo-5-methylphenyl)-, AS-30592, SC-32229, AB0033515, X7080, C9H9BrO, CID347125, 1-(2-bromo-5-methylphenyl)ethanone, 95% - 1G 1g,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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