AG000614

1019442-22-8 | Benzenamine, 5-bromo-2-(1-methylethoxy)-

AG000614

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CAS Number	1019442-22-8
Catalog Number	AG000614(AGN-PC-05CXC0)
Chemical Name	Benzenamine, 5-bromo-2-(1-methylethoxy)-
IUPAC Name	5-bromo-2-propan-2-yloxyaniline
InChI	InChI=1S/C9H12BrNO/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,11H2,1-2H3
InChI Key	ZLBJGAIDWQCWTD-UHFFFAOYSA-N
MDL Number	MFCD11132974
Molecular Formula	C9H12BrNO
Molecular Weight	230.1017
SMILES	NC1=CC(Br)=CC=C1OC(C)C
Synonyms	5-Bromo-2-isopropoxyaniline, 1019442-22-8, 5-bromo-2-(propan-2-yloxy)aniline, SCHEMBL16700915, ZINC19845826, AKOS000214883, MCULE-8638878460, NE36969, AJ-75349, AK156164, Benzenamine, 5-bromo-2-(1-methylethoxy)-, A1-06992, Z1463254692,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.105g/mol
Monoisotopic Mass	229.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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