AG003RSX

5471-82-9 | Methyl 3-methyl-2-nitrobenzoate

AG003RSX

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CAS Number	5471-82-9
Catalog Number	AG003RSX(AGN-PC-0JLS4R)
Chemical Name	Methyl 3-methyl-2-nitrobenzoate
IUPAC Name	methyl 3-methyl-2-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
InChI Key	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
MDL Number	MFCD01003947
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	28461
SMILES	C1=C(C(=C(C=C1)C)[N+]([O-])=O)C(OC)=O
Synonyms	Methyl 3-methyl-2-nitrobenzoate, 5471-82-9, methyl3-methyl-2-nitrobenzoate, methyl 3-methyl-2-nitrobenzenecarboxylate, Benzoic acid, 3-methyl-2-nitro-, methyl ester, 3-Methyl-2-nitrobenzoic Acid Methyl Ester, 2-Nitro-3-methylbenzoic acid, methyl ester, MFCD01003947, NSC28461, NSC 28461, PubChem10932, AC1L2XSC, AC1Q5ADB, ACMC-1AP0B, KSC495Q9T, SCHEMBL1032670, DTXSID6063933, methyl 2-nitro-3-methylbenzoate, CTK3J5899, KS-00000BMZ, methyl 3-methyl-2-nitro-benzoate, NJHDBIXFFZVJGZ-UHFFFAOYSA-N, Methyl 3-Methyl-2-nitro benzoate, ZINC163618, ACN-S004355, BCP27599, CS-M3738, ANW-32181, CM-642, NSC-28461, SBB053712, AKOS005069627, AC-5779, MCULE-6974191775, RP04003, RTR-019353, TRA0127938, VZ32610, 2-methyl-6-methoxycarbonyl-nitrobenzene, AJ-16051, AK-73064, AN-10642, BR-73064, CJ-02095, I657, SC-17986, SY017255, ZB008014, ST2413369, TL8003591, TR-019353, AM20060986, FT-0083717, FT-0651556, M2213, ST50949683, MFCD01003947 (98%), C-6319, 471M829, 11X-0063, I01-5782, J-522197, Benzoic acid, methyl ester, C9H9NO4, C9-H9-N-O4, CID79621, AR-1J6638, CS-O-10817, A7956, Methyl 3-methyl-2-nitrobenzoate, 98% - 100G 100g, 56491-89-5,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number