AG004OW5

847685-01-2 | 4,5-Difluoro-2-iodoaniline

AG004OW5

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CAS Number	847685-01-2
Catalog Number	AG004OW5(AGN-PC-0NI0JT)
Chemical Name	4,5-Difluoro-2-iodoaniline
IUPAC Name	4,5-difluoro-2-iodoaniline
InChI	InChI=1S/C6H4F2IN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChI Key	XBOMEOMTVVEEDW-UHFFFAOYSA-N
MDL Number	MFCD03095321
Molecular Formula	C6H4F2IN
Molecular Weight	255.0039
SMILES	NC1=C(I)C=C(F)C(F)=C1
Synonyms	4,5-Difluoro-2-iodoaniline, 847685-01-2, 2-Iodo-4,5-Difluoroaniline, 4,5-difluoro-2-iodobenzenaMine, 4,5-difluoro-2-iodo-phenylamine, Benzenamine, 4,5-difluoro-2-iodo-, SCHEMBL1093491, CTK8C1067, DTXSID90479448, XBOMEOMTVVEEDW-UHFFFAOYSA-N, ACT12933, KS-000009ZX, 3043AC, ANW-65823, MFCD03095321, ZINC22011405, AKOS016005657, AM61655, AS05354, CM11426, MCULE-5146317397, NE25974, AJ-80474, AK-87519, DS-18334, SY041071, TC-154568, CS-0035710, MFCD03095321 (95%), A1-06351, Z1272739408, C6H4F2IN,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.936g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.006g/mol
Monoisotopic Mass	254.936g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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