AG0094MV

1112210-82-8 | 1,3-Dibromo-5-isopropoxybenzene

AG0094MV

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CAS Number	1112210-82-8
Catalog Number	AG0094MV(AGN-PC-0WAMSD)
Chemical Name	1,3-Dibromo-5-isopropoxybenzene
IUPAC Name	1,3-dibromo-5-propan-2-yloxybenzene
InChI	InChI=1S/C9H10Br2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChI Key	YEANGEKXRPNJTL-UHFFFAOYSA-N
MDL Number	MFCD12547881
Molecular Formula	C9H10Br2O
Molecular Weight	293.9831
SMILES	CC(OC1=CC(Br)=CC(Br)=C1)C
Synonyms	1,3-Dibromo-5-isopropoxybenzene, 1112210-82-8, 3,5-Dibromoisopropoxybenzene, SCHEMBL12127949, YEANGEKXRPNJTL-UHFFFAOYSA-N, 1,3-dibromo-5-isopropoxy-benzene, MFCD12547881, ZINC40571685, AKOS022181511, AK-61451, DS-14774, SY104410, AJ-103707, ST24036785, Y3660, MFCD12547881 (97%), Q-7228, C9H10Br2O,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.908g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.986g/mol
Monoisotopic Mass	291.91g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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