AG003PMB

5292-45-5 | Dimethyl 2-nitroterephthalate

AG003PMB

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CAS Number	5292-45-5
Catalog Number	AG003PMB(AGN-PC-0JKFU5)
Chemical Name	Dimethyl 2-nitroterephthalate
EC Number	226-134-1
IUPAC Name	dimethyl 2-nitrobenzene-1,4-dicarboxylate
InChI	InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChI Key	PAYWCKGMOYQZAW-UHFFFAOYSA-N
MDL Number	MFCD00008422
Molecular Formula	C10H9NO6
Molecular Weight	239.1816
NSC Number	5056
SMILES	[N+](=O)([O-])C1=C(C(=O)OC)C=CC(=C1)C(=O)OC
UNII	59QLU09DZ4
Synonyms	Dimethyl 2-nitroterephthalate, Dimethyl nitroterephthalate, 5292-45-5, Terephthalic acid, nitro-, dimethyl ester, Dimethyl 2-nitrobenzene-1,4-dicarboxylate, UNII-59QLU09DZ4, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, NSC 5056, EINECS 226-134-1, 59QLU09DZ4, 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester, PAYWCKGMOYQZAW-UHFFFAOYSA-N, Nitroterephthalic acid dimethyl ester, MFCD00008422, ACMC-1AJ3C, di-methyl nitroterephthalate, EC 226-134-1, SCHEMBL559830, 1, 2-nitro-, dimethyl ester, AC1L2I67, AC1Q434P, DTXSID5022223, CTK4I0831, KS-00000KMD, NSC5056, ALBB-019838, NSC-5056, ZINC1081320, ANW-31588, AKOS000264989, CS-W014660, MCULE-1341624388, TRA0081826, AJ-24940, AK-47089, H244, ZB015925, dimethyl 1-nitrobenzene-2,5-dicarboxylate, LS-184945, methyl 4-(methoxycarbonyl)-2-nitrobenzoate, ST2419249, TC-120333, FT-0625090, N0501, ST50308295, TL80090859, 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate, A824376, DIMETHYL 2-NITRO-1,4-BENZENEDICARBOXYLATE, 2-Nitro-1,4-benzenedicarboxylic acid dimethyl ester, 2-nitrobenzene-1,4-dicarboxylic acid dimethyl ester, W-105787, I14-10497, Dimethyl aminoterephthalate, C10H9NO6, Terephthalic acid, dimethyl ester, C10-H9-N-O6, CID21364, Dimethyl nitroterephthalate, 98% 50g, Dimethyl nitroterephthalate, 99% - 25G 25g, 39020-35-4, 1,4-Benzenedicarboxylicacid, 2-nitro-, 1,4-diethyl ester,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.043g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.183g/mol
Monoisotopic Mass	239.043g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	98.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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