AG003HJN

53967-73-0 | 2-Methoxy-6-nitrobenzoic acid

AG003HJN

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CAS Number	53967-73-0
Catalog Number	AG003HJN(AGN-PC-00LXWL)
Chemical Name	2-Methoxy-6-nitrobenzoic acid
IUPAC Name	2-methoxy-6-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(9(12)13)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	ORPBIIFFJYJUHR-UHFFFAOYSA-N
MDL Number	MFCD00091878
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	O=C(O)C1=C([N+]([O-])=O)C=CC=C1OC
Synonyms	2-Methoxy-6-nitrobenzoic Acid, 53967-73-0, 2-methoxy-6-nitro-benzoic acid, Benzoic acid, 2-methoxy-6-nitro-, 2-Methoxy-6-nitrobenzoicAcid, 2-Nitro-6-methoxybenzoic acid, 6-methoxy-2-nitrobenzoic acid, SCHEMBL3600729, CTK1G9003, KS-00000CDG, DTXSID80535648, Benzoicacid, 2-methoxy-6-nitro-, ORPBIIFFJYJUHR-UHFFFAOYSA-N, 7725AB, MFCD00091878, RW3113, ZINC38339180, AKOS006274903, AC-2923, CS-W002361, QC-1881, RP25514, TRA0161037, AJ-95128, AK-76043, AN-13518, BC650452, DS-16548, SC-21884, SY003354, AB0059732, DB-014135, TC-307121, 4CH-002148, FT-0727289, ST24040785, Z-3353, MFCD00091878 (97+%), A829869, I04-1410, J-510166, C8H7NO5, 2-chloropyridine-3-sulfonyl Chloride, 334017-34-4,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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

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