AG008U2C

111721-74-5 | BenzenaMine, 2-broMo-5-iodo-

AG008U2C

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CAS Number	111721-74-5
Catalog Number	AG008U2C(AGN-PC-078NR3)
Chemical Name	BenzenaMine, 2-broMo-5-iodo-
IUPAC Name	2-bromo-5-iodoaniline
InChI	InChI=1S/C6H5BrIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChI Key	LNVKBOZTHZJQLM-UHFFFAOYSA-N
MDL Number	MFCD16038675
Molecular Formula	C6H5BrIN
Molecular Weight	297.9191
SMILES	NC1=CC(I)=CC=C1Br
Synonyms	2-bromo-5-iodoaniline, 111721-74-5, 2-bromo-5-iodoBenzenamine, AC1Q50IC, 2-Bromo-5-iodoaniline 96%, SCHEMBL4776655, 2-Bromo-5-iodoaniline, 96%, BenzenaMine, 2-broMo-5-iodo-, MFCD16038675, ZINC57218483, AKOS027324218, MCULE-2066428648, NE38374, PS-11909, DB-060119, FT-0714356, EN300-66171, AS-813/43501704, Z1263529562,

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
Signal Words	warning
UN Code

Certificate of Analysis

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