AG0033V9

78056-39-0 | 4,5-Difluoro-2-nitroaniline

AG0033V9

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CAS Number	78056-39-0
Catalog Number	AG0033V9(AGN-PC-0JPL9D)
Chemical Name	4,5-Difluoro-2-nitroaniline
IUPAC Name	4,5-difluoro-2-nitroaniline
InChI	InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChI Key	WDMCABATCGQAKK-UHFFFAOYSA-N
MDL Number	MFCD00010876
Molecular Formula	C6H4F2N2O2
Molecular Weight	174.1050
NSC Number	402976
SMILES	O=N(=O)c1cc(F)c(F)cc1(N)
Synonyms	4,5-Difluoro-2-nitroaniline, 78056-39-0, 3,4-Difluoro-6-nitroaniline, Benzenamine, 4,5-difluoro-2-nitro-, 4,5-difluoro-2-nitro-aniline, 4,5-Difluoro-2-nitrophenylamine, 2-nitro-4,5-difluoroaniline, 2-Amino-4,5-difluoronitrobenzene, WDMCABATCGQAKK-UHFFFAOYSA-N, 4,5-Difluoro-2-nitroaniline, 98%, MFCD00010876, 4,5-DIFLUORO-2-NITRO-PHENYLAMINE, 4,5-difluoro-2-nitrobenzenamine, NSC402976, PubChem2121, ACMC-209pdb, AC1L4HH6, AC1Q50RH, AC1Q51OM, 4,5-difluoro-2nitroaniline, 4,5-difluoro2-nitroaniline, KSC495K8D, SCHEMBL199359, CTK3J5581, DTXSID00228702, BUTTPARK 19\04-57, WT198, ACN-S003713, ACT00071, ZINC4329304, ANW-37149, CL8438, SBB064129, 4,5-DIFLUORO-2-NITRO-ANILIN, AKOS001393903, AC-3677, AS04077, CM11432, CS-W008348, GS-3399, MCULE-8784020412, NSC-402976, RTC-063944, TRA0056011, VZ27567, KS-000009T0, AJ-50616, AK-50646, AN-12735, BC221795, BP-20379, BR-50646, CJ-11924, EN001876, N625, SC-06777, SY004058, AB0015925, DB-006585, ST2410255, TC-063944, TL8005345, 4CH-002441, AM20061125, D3644, FT-0080698, FT-0601439, 78056-39-0 4,5-difluoro-2-nitroaniline, EN300-27866, MFCD00010876 (98%), A19758, B-3870, 056D390, I01-6674, Z235347007, C6H4F2N2O2, CID157151, 4,5-Difluoro-2-nitroaniline, 98% - 1G 1g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.107g/mol
Monoisotopic Mass	174.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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