AG00D87Q

450412-29-0 | 2-IODO-3-BROMOFLUOROBENZENE

AG00D87Q

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CAS Number	450412-29-0
Catalog Number	AG00D87Q(AGN-PC-0KL24N)
Chemical Name	2-IODO-3-BROMOFLUOROBENZENE
IUPAC Name	1-bromo-3-fluoro-2-iodobenzene
InChI	InChI=1S/C6H3BrFI/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key	FXEGEEUPPGLIIC-UHFFFAOYSA-N
MDL Number	MFCD07368675
Molecular Formula	C6H3BrFI
Molecular Weight	300.8949
SMILES	FC1=CC=CC(Br)=C1I
Synonyms	1-bromo-3-fluoro-2-iodobenzene, 450412-29-0, 2-Bromo-6-fluoroiodobenzene, 2-Iodo-3-bromofluorobenzene, Benzene, 1-bromo-3-fluoro-2-iodo-, 1-bromo-3-fluoro-2-iodo-benzene, AC1MD3TK, SCHEMBL1768320, 1-Bromo-2-iodo-3-fluorobenzene, CTK7C3090, DTXSID70382446, FXEGEEUPPGLIIC-UHFFFAOYSA-N, WT241, KS-00000P2U, ANW-68832, MFCD07368675, ZINC67796546, AKOS016005673, QC-4176, AK-61318, AM803926, DS-14745, SC-21541, SY035384, AB0042715, AJ-117006, RT-007851, 4CH-002498, CS-0041094, FT-0719240, ST24037875, TL80090263, Z0602, 450412-29-0 2-iodo-3-bromofluorobenzene, MFCD07368675 (95%), Q-8540, Q-9521, Z-2593, C6H3BrFI, ACN-055823, CID2783127,

Complexity	99.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.845g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.897g/mol
Monoisotopic Mass	299.845g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

Lot Number