AG003564

62621-09-4 | Methyl 2-Methyl-4-nitrobenzoate

AG003564

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CAS Number	62621-09-4
Catalog Number	AG003564(AGN-PC-003PI9)
Chemical Name	Methyl 2-Methyl-4-nitrobenzoate
IUPAC Name	methyl 2-methyl-4-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-5-7(10(12)13)3-4-8(6)9(11)14-2/h3-5H,1-2H3
InChI Key	JJHCLPDHYBSSHC-UHFFFAOYSA-N
MDL Number	MFCD03618407
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	CC1=C(C(=O)OC)C=CC(=C1)[N+](=O)[O-]
Synonyms	Methyl 2-Methyl-4-nitrobenzoate, 62621-09-4, 2-methyl-4-nitroBenzoic acid methyl ester, 2-METHYL-4-NITRO-BENZOIC ACID METHYL ESTER, Benzoicacid, 2-methyl-4-nitro-, methyl ester, Benzoic acid, 2-methyl-4-nitro-, methyl ester, Methyl 4-Nitro-o-toluate, ACMC-209n64, SCHEMBL1163261, CTK5B5388, DTXSID70568026, JJHCLPDHYBSSHC-UHFFFAOYSA-N, 4-Nitro-o-toluic Acid Methyl Ester, ANW-34298, KM0642, MFCD03618407, SBB053732, ZINC20357979, AKOS011107273, RP25361, TRA0053065, AJ-77217, AK-35896, AS-31330, CJ-16696, SC-36762, SY006876, DB-073161, TC-123043, CS-0044777, FT-0647220, M2545, MFCD03618407 (97+%), AE-562/43460703, J-522046, I01-10073, 25103-09-7,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number