AG003E4M

22807-80-3 | 1-Bromo-4-(tert-butoxymethyl)benzene

AG003E4M

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CAS Number	22807-80-3
Catalog Number	AG003E4M(AGN-PC-0NFTVM)
Chemical Name	1-Bromo-4-(tert-butoxymethyl)benzene
IUPAC Name	1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene
InChI	InChI=1S/C11H15BrO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3
InChI Key	HIYXDGGLSJYYCO-UHFFFAOYSA-N
MDL Number	MFCD11987079
Molecular Formula	C11H15BrO
Molecular Weight	243.1402
SMILES	CC(OCC1=CC=C(Br)C=C1)(C)C
Synonyms	1-Bromo-4-(tert-butoxymethyl)benzene, 22807-80-3, ACMC-209fyx, 4-bromobenzyl tert-butyl ether, SCHEMBL11957478, CTK4F0218, DTXSID40455116, HIYXDGGLSJYYCO-UHFFFAOYSA-N, ANW-24967, MFCD11987079, ZINC34936195, AKOS010796617, AM87948, MCULE-8764380314, 4-Bromobenzyl alcohol, tert-butyl ether, AJ-90426, TR-036201, V4524, VU0494872-1, K-6340, I01-11109, F2189-0091, C11H15BrO, CID11096814, 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.144g/mol
Monoisotopic Mass	242.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number