AG003IQO

71608-10-1 | 3,6-Dimethyl-2-nitrophenol

AG003IQO

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CAS Number	71608-10-1
Catalog Number	AG003IQO(AGN-PC-0JNVKG)
Chemical Name	3,6-Dimethyl-2-nitrophenol
IUPAC Name	3,6-dimethyl-2-nitrophenol
InChI	InChI=1S/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3
InChI Key	VIQHHRZADKSPIM-UHFFFAOYSA-N
MDL Number	MFCD12198862
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	89793
SMILES	CC=1C(=C(C(=CC1)C)O)[N+](=O)[O-]
UNII	9T0HKQ8H5N
Synonyms	3,6-Dimethyl-2-nitrophenol, 71608-10-1, 2,5-dimethyl-6-nitrophenol, Phenol, 3,6-dimethyl-2-nitro-, UNII-9T0HKQ8H5N, 9T0HKQ8H5N, NSC-89793, NSC89793, AC1L61JJ, AC1Q1YD8, 2,5-Xylenol, 6-nitro-, NCIOpen2_001457, 3,6-dimethyl-2-nitro-phenol, SCHEMBL9559517, Phenol,3,6-dimethyl-2-nitro-, CTK5D4721, DTXSID00293475, Phenol, 2,5-dimethyl-6-nitro-, VIQHHRZADKSPIM-UHFFFAOYSA-N, ANW-71472, KM1417, MFCD12198862, ZINC31666762, AKOS015888221, AC-7291, AN-9173, FCH1155018, TRA0050847, KS-0000099A, AJ-84294, AS-31537, CJ-17811, SC-27555, SY005501, AB0053718, AX8174276, DB-013045, TC-160217, FT-0736858, MFCD12198862 (97+%), I01-10021, AR-1F0028, CID259651, 92594-03-1,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number