AG003HO2

13506-76-8 | 2-Methyl-6-nitrobenzoic acid

AG003HO2

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CAS Number	13506-76-8
Catalog Number	AG003HO2(AGN-PC-0JKCOJ)
Chemical Name	2-Methyl-6-nitrobenzoic acid
EC Number	236-833-3
IUPAC Name	2-methyl-6-nitrobenzoic acid
InChI	InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	CCXSGQZMYLXTOI-UHFFFAOYSA-N
MDL Number	MFCD00007267
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	CC1=C(C(=O)O)C(=CC=C1)[N+](=O)[O-]
UN Number	2811
UNII	JM85Y56DX1
Synonyms	2-METHYL-6-NITROBENZOIC ACID, 13506-76-8, 6-Nitro-o-toluic acid, Benzoic acid, 2-methyl-6-nitro-, 6-Methyl-2-nitrobenzoic acid, 2-methyl-6-nitro-benzoic acid, o-Toluic acid, 6-nitro-, 2-methyl-6-nitrobenzoicacid, UNII-JM85Y56DX1, EINECS 236-833-3, MLS002152875, JM85Y56DX1, CCXSGQZMYLXTOI-UHFFFAOYSA-N, MFCD00007267, SMR001224490, 2-Methyl-6-nitrobenzoic acid, 99%, Nitrotoluylsaure, NCGC00091581-01, nitro-ortho-toluic acid, PubChem14045, ACMC-1AYOE, AC1Q2DJL, 2-Carboxy-3-nitrotoluene, DSSTox_CID_5639, AC1Q2N9D, DSSTox_RID_77864, DSSTox_GSID_25639, SCHEMBL33666, cid_16097, KSC494O0F, 2-Nitro-6-methylbenzoic acid, 2-Methyl-6-nitrobenzonic acid, AC1L279F, Jsp002133, CHEMBL1300395, DTXSID7025639, BDBM74245, CTK3J4702, KS-00000CDP, HMS3039A14, ZINC157093, ACT05409, Tox21_200201, ANW-19742, BBL103670, CL8056, FC1087, LS-789, SBB028499, STL557480, 2-Methyl-6-nitrobenzoic acid, 97%, AKOS001309987, AC-3082, AS07059, CS-W007508, GS-4418, MCULE-1416023209, RP24213, RP24217, RTR-004744, TRA0034905, VF10336, NCGC00091581-02, NCGC00257755-01, AJ-14881, AK-45423, AN-13327, BR-45423, SC-22890, SY003788, AB0034010, CAS-13506-76-8, DB-011077, ST2417081, TR-004744, 4CH-003198, A2886, AM20060849, FT-0081483, FT-0612995, M1002, ST50406588, X8091, EN300-24070, MFCD00007267 (98%), S-1418, I01-1108, J-510027, InChI=1/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11, 2-Methyl-5-nitrobenzoicacid, GenBank BX315092, C8H7NO4, 2-METHYL-5-NITROBENZOIC ACID, C8-H7-N-O4, CID16097, ACN-048092, A4326, C2135, 2-Methyl-6-nitrobenzoic acid, 98% - 1G 1g, 3-(Phenylsulfonyl)propan-1-amine hydrochloride, 1975-52-6, 513506-76-8,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number