AG00AAZ4

193905-94-1 | 1-Bromo-3-Tert-Butyl-5-Methylbenzene

AG00AAZ4

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CAS Number	193905-94-1
Catalog Number	AG00AAZ4(AGN-PC-0712R0)
Chemical Name	1-Bromo-3-Tert-Butyl-5-Methylbenzene
IUPAC Name	1-bromo-3-tert-butyl-5-methylbenzene
InChI	InChI=1S/C11H15Br/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7H,1-4H3
InChI Key	VHUIMCRJBRTILQ-UHFFFAOYSA-N
MDL Number	MFCD09801037
Molecular Formula	C11H15Br
Molecular Weight	227.1408
SMILES	CC1=CC(C(C)(C)C)=CC(Br)=C1
Synonyms	193905-94-1, 1-Bromo-3-(tert-butyl)-5-methylbenzene, 1-Bromo-3-tert-butyl-5-methylbenzene, ACMC-1C4MK, SCHEMBL2745570, 3-Bromo-5-(tert-butyl)toluene, CTK4E1381, DTXSID10656916, ZX-AT012723, ANW-23617, MFCD09801037, ZINC63142578, AKOS015835369, FCH1327206, OR11694, RTR-009003, AJ-114341, AX8242997, TR-009003, V4071, Benzene,1-bromo-3-(1,1-dimethylethyl)-5-methyl-, I01-11035, C11H15Br,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.145g/mol
Monoisotopic Mass	226.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H413
Packing Group
Precautionary statements	P264-P270-P273-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number