AG003JMR

4920-80-3 | 3-METHOXY-2-NITROBENZOIC ACID

AG003JMR

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CAS Number	4920-80-3
Catalog Number	AG003JMR(AGN-PC-0JLRHX)
Chemical Name	3-METHOXY-2-NITROBENZOIC ACID
EC Number	225-549-5
IUPAC Name	3-methoxy-2-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	YMOMYSDAOXOCID-UHFFFAOYSA-N
MDL Number	MFCD00007143
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	609
SMILES	O=C(O)C1=CC=CC(OC)=C1[N+]([O-])=O
Synonyms	3-Methoxy-2-nitrobenzoic acid, 4920-80-3, 2-Nitro-3-methoxybenzoic acid, 2-Nitro-m-anisic Acid, Benzoic acid, 3-methoxy-2-nitro-, m-Anisic acid, 2-nitro-, 3-Methoxy-2-nitrobenzoicacid, MFCD00007143, YMOMYSDAOXOCID-UHFFFAOYSA-N, 2 - nitro -3-- methoxybenzoic acid, NSC609, NSC 609, EINECS 225-549-5, PubChem12905, AC1L2VNP, AC1Q4FF6, ACMC-1AO65, KSC238G2P, SCHEMBL104452, AC1Q4E25, 3-methoxy-2-nitro benzoic acid, 3-methoxy-2-nitro-benzoic acid, CTK1D8327, YMOMYSDAOXOCID-UHFFFAOYSA-, DTXSID10197718, NSC-609, WT034, ZINC1596370, ANW-30740, CL8090, SBB028522, 3-Methoxy-2-nitrobenzoic acid, 96%, AKOS003242115, CM12835, CS-W008339, LS00051, MCULE-9349592372, RP25511, RTR-017777, TRA0039638, VZ27009, AC-28705, AJ-27849, AK-26022, AS-17854, BP-12760, BR-26022, EN001587, SC-46962, SY027418, Benzoic acid, 3-methoxy-2-nitro- (9CI), AB0021033, DB-013320, ST2417762, TR-017777, 4920-80-3 3-methoxy-2-nitrobenzoic acid, AM20040559, FT-0084628, FT-0615970, M1036, ST45026887, V2182, M-2296, MFCD00007143 (97+%), J-512752, I14-59006, F1905-7200, InChI=1/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11), C8H7NO5, C8-H7-N-O5, CID78632, AR-1E4392, A7366, 3-Methoxy-2-nitrobenzoic acid, 99% - 1G 1g, 5153-40-2, 5462-71-5,

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	1.6

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