AG00ECLW

63037-64-9 | 4-Bromo-3-iodoaniline

AG00ECLW

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CAS Number	63037-64-9
Catalog Number	AG00ECLW(AGN-PC-001RSM)
Chemical Name	4-Bromo-3-iodoaniline
IUPAC Name	4-bromo-3-iodoaniline
InChI	InChI=1S/C6H5BrIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChI Key	TXDUNPPIEVYUJH-UHFFFAOYSA-N
MDL Number	MFCD16622212
Molecular Formula	C6H5BrIN
Molecular Weight	297.9191
SMILES	NC1=CC(I)=C(Br)C=C1
Synonyms	4-bromo-3-iodoaniline, 63037-64-9, 4-bromo-3-iodobenzenamine, Benzenamine, 4-bromo-3-iodo-, 3-Iodo-4-bromoaniline, (4-bromo-3-iodophenyl)amine, AC1Q51P3, SCHEMBL2691556, CTK2A9985, DTXSID40561529, TXDUNPPIEVYUJH-UHFFFAOYSA-N, ANW-71805, MFCD16622212, ZINC34317413, ACN-049330, AJ-87939, DA-04952, TX-016953, FT-0715632, EN300-66174, W-4713,

Complexity	99.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.865g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.921g/mol
Monoisotopic Mass	296.865g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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