AG001AFH

139155-55-8 | 1-Bromo-3-isobutylbenzene

AG001AFH

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CAS Number	139155-55-8
Catalog Number	AG001AFH(AGN-PC-02101W)
Chemical Name	1-Bromo-3-isobutylbenzene
IUPAC Name	1-bromo-3-(2-methylpropyl)benzene
InChI	InChI=1S/C10H13Br/c1-8(2)6-9-4-3-5-10(11)7-9/h3-5,7-8H,6H2,1-2H3
InChI Key	YSJTXBKDIUSLGN-UHFFFAOYSA-N
MDL Number	MFCD26405543
Molecular Formula	C10H13Br
Molecular Weight	213.1142
SMILES	CC(C)CC1=CC(Br)=CC=C1
Synonyms	1-Bromo-3-isobutylbenzene, 139155-55-8, 1-bromo-3-(2-methylpropyl)benzene, Benzene, 1-bromo-3-(2-methylpropyl)-, 3-Bromo-isobutylbenzene, SCHEMBL1513595, YSJTXBKDIUSLGN-UHFFFAOYSA-N, MFCD26405543, ZINC83988613, AKOS022188292, CS-W007295, DS-8900, AK148389, AJ-126096, FT-0696848,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.118g/mol
Monoisotopic Mass	212.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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