AG004DDC

87547-06-6 | 4-bromo-2-fluoro-5-nitroaniline

AG004DDC

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CAS Number	87547-06-6
Catalog Number	AG004DDC(AGN-PC-00OC02)
Chemical Name	4-bromo-2-fluoro-5-nitroaniline
IUPAC Name	4-bromo-2-fluoro-5-nitroaniline
InChI	InChI=1S/C6H4BrFN2O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,9H2
InChI Key	PDNZCDDWSKYNTE-UHFFFAOYSA-N
MDL Number	MFCD08741367
Molecular Formula	C6H4BrFN2O2
Molecular Weight	235.0106
SMILES	NC1=CC([N+]([O-])=O)=C(Br)C=C1F
Synonyms	4-Bromo-2-fluoro-5-nitroaniline, 87547-06-6, ACMC-1BKHB, SCHEMBL9821008, CTK5F8650, DTXSID40551864, PDNZCDDWSKYNTE-UHFFFAOYSA-N, ZX-AP003755, 4-bromo-2-fluoro-5-nitrophenylamine, ANW-38840, MFCD08741367, PC2673, SBB098341, ZINC16158671, 4-Bromo-2-fluoro-5-nitro-phenylamine, AKOS015835468, FCH1327000, 4-bromanyl-2-fluoranyl-5-nitro-aniline, AJ-68564, AK-91101, AS-18066, CJ-15424, AX8229518, ST2405603, TR-027522, V8521, B-4081, A842256, I14-24773, C6H4BrFN2O2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.012g/mol
Monoisotopic Mass	233.944g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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