AG008T91

1202858-68-1 | 1-Bromo-5-isopropoxy-2-methyl-4-nitrobenzene

AG008T91

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CAS Number	1202858-68-1
Catalog Number	AG008T91(AGN-PC-0WAJRG)
Chemical Name	1-Bromo-5-isopropoxy-2-methyl-4-nitrobenzene
IUPAC Name	1-bromo-2-methyl-4-nitro-5-propan-2-yloxybenzene
InChI	InChI=1S/C10H12BrNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3
InChI Key	LEOYPMMITUZVSD-UHFFFAOYSA-N
MDL Number	MFCD28405053
Molecular Formula	C10H12BrNO3
Molecular Weight	274.1112
SMILES	O=[N+](C1=C(OC(C)C)C=C(Br)C(C)=C1)[O-]
Synonyms	1-bromo-5-isopropoxy-2-methyl-4-nitrobenzene, 1202858-68-1, 2-Bromo-4-isopropoxy-5-nitrotoluene, AK318655, SCHEMBL1771728, LEOYPMMITUZVSD-UHFFFAOYSA-N, MFCD28405053, AKOS027324976, ZINC117058350, AC-29716, DS-11571, CS-0061046, 1-bromo-2-methyl-4-nitro-5-propan-2-yloxybenzene, ACN-050752,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.114g/mol
Monoisotopic Mass	273g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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