AG001XOY

16793-90-1 | Benzene, 1-(2-bromoethyl)-2-methyl-

AG001XOY

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CAS Number	16793-90-1
Catalog Number	AG001XOY(AGN-PC-0KKLF4)
Chemical Name	Benzene, 1-(2-bromoethyl)-2-methyl-
IUPAC Name	1-(2-bromoethyl)-2-methylbenzene
InChI	InChI=1S/C9H11Br/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7H2,1H3
InChI Key	PZXWZXNXBNIAHO-UHFFFAOYSA-N
MDL Number	MFCD04117467
Molecular Formula	C9H11Br
Molecular Weight	199.0876
SMILES	CC1=CC=CC=C1CCBr
Synonyms	1-(2-bromoethyl)-2-methylbenzene, 16793-90-1, 2-methylphenethyl bromide, 2-(2-Bromoethyl)toluene, 1-(2-bromo-ethyl)-2-methyl-benzene, Benzene, 1-(2-bromoethyl)-2-methyl-, AC1MBURW, 2-methylphenethylbromide, 1-Bromo-2-o-tolylethane, ACMC-1CHT7, SCHEMBL933622, 2-Methylphenethyl bromide, 97%, CTK4D2816, DTXSID60373661, PZXWZXNXBNIAHO-UHFFFAOYSA-N, ZINC2529024, MFCD04117467, AKOS011895052, Benzene,1-(2-bromoethyl)-2-methyl-, AM82901, FS-6509, AJ-38363, SC-93139, DB-017077, TC-170408, FT-0749721, J-010414, 1-(2-bromoethyl)-2-methyl-benzene, CID2756966, (3-BROMO-2-METHYLPHENYL)METHANAMINE,

Complexity	90.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.091g/mol
Monoisotopic Mass	198.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

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