AG000H47

115929-62-9 | 3-Bromo-2,5-Dimethoxyaniline

AG000H47

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CAS Number	115929-62-9
Catalog Number	AG000H47(AGN-PC-0NGCEO)
Chemical Name	3-Bromo-2,5-Dimethoxyaniline
IUPAC Name	3-bromo-2,5-dimethoxyaniline
InChI	InChI=1S/C8H10BrNO2/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4H,10H2,1-2H3
InChI Key	GPCODUGWJGGDIV-UHFFFAOYSA-N
MDL Number	MFCD12755177
Molecular Formula	C8H10BrNO2
Molecular Weight	232.0745
SMILES	NC1=CC(OC)=CC(Br)=C1OC
Synonyms	3-Bromo-2,5-dimethoxyaniline, 115929-62-9, 3-bromo-2,5-dimethoxy-aniline, 2,5-Dimethoxy-3-bromoaniline, SCHEMBL5035434, GPCODUGWJGGDIV-UHFFFAOYSA-N, 3-Bromo-2,5-dimethoxy-phenylamine, ZINC38284402, DS-9174, FCH1613789, AK149639, AX8286892, CS-0041799, CID11128158, AJ-94928,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.98949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.07g/mol
Monoisotopic Mass	230.98949g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.5Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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