AG003FK3

19499-93-5 | 2,3-Dimethyl-4-nitrophenol

AG003FK3

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CAS Number	19499-93-5
Catalog Number	AG003FK3(AGN-PC-00M3BM)
Chemical Name	2,3-Dimethyl-4-nitrophenol
IUPAC Name	2,3-dimethyl-4-nitrophenol
InChI	InChI=1S/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3
InChI Key	DAEZHJNJHQAEPE-UHFFFAOYSA-N
MDL Number	MFCD00013744
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	OC1=CC=C([N+]([O-])=O)C(C)=C1C
Synonyms	2,3-Dimethyl-4-nitrophenol, 19499-93-5, Phenol,2,3-dimethyl-4-nitro-, ACMC-1BUXF, 4-Nitro-2,3-xylenol, 2,3-dimethyl-4-nitro-phenol, SCHEMBL1896801, CTK4E1670, DAEZHJNJHQAEPE-UHFFFAOYSA-, DTXSID20537126, DAEZHJNJHQAEPE-UHFFFAOYSA-N, WT047, KS-00000MK2, ANW-23670, MFCD01861284, ZINC39603499, AKOS015891091, TRA0054992, VZ22306, AK-61298, AM808190, AS-11388, SC-53838, AB0009765, AJ-100411, DB-044881, ST2403626, TC-112415, 19499-93-5 2,3-dimethyl-4-nitrophenol, D2608, FT-0609697, M-2871, A813777, I01-8325, InChI=1/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3, 4-nitro-2,3-dimethylphenol, C8H9NO3, ACN-050442,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^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
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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