AG003EGR

35092-89-8 | 1-Methyl 2-nitroterephthalate

AG003EGR

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CAS Number	35092-89-8
Catalog Number	AG003EGR(AGN-PC-0LW2Z5)
Chemical Name	1-Methyl 2-nitroterephthalate
EC Number	252-360-5
IUPAC Name	4-methoxycarbonyl-3-nitrobenzoic acid
InChI	InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key	MIIADZYPHVTLPR-UHFFFAOYSA-N
MDL Number	MFCD00024510
Molecular Formula	C9H7NO6
Molecular Weight	225.1550
NSC Number	151109
SMILES	COC(=O)C1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
Synonyms	4-(methoxycarbonyl)-3-nitrobenzoic acid, 35092-89-8, 1-Methyl 2-nitroterephthalate, Methyl hydrogen 2-nitroterephthalate, MFCD00024510, 4-methoxycarbonyl-3-nitrobenzoic acid, 3-Nitro-4-carbomethoxybenzoic acid, 1-Methyl 2-nitroterephthalate, 97%, 2-nitroterephthalic acid 1-methyl ester, W-110855, EINECS 252-360-5, NSC151109, EC 252-360-5, AC1Q5AM3, SCHEMBL161836, AC1L40A2, CTK8B7260, Methyl 2-nitro-4-carboxybenzoate, MIIADZYPHVTLPR-UHFFFAOYSA-N, Methyl-2-nitro-4-carboxy-benzoate, AC1Q4385, ACT07839, BCP23595, ZINC1761786, ZX-AT009526, 4-carbomethoxy-3-nitro-benzoic acid, ANW-56858, 2-Nitroterephthalicacid 1-Methylester, AKOS015889579, MCULE-5458328896, NSC-151109, OR11224, ACM35092898, 5-carboxy-2-methoxycarbonyl-nitrobenzene, AJ-31593, AK100013, AS-12303, SC-91890, AX8059286, ST2418026, TC-145603, FT-0616219, ST51038494, 2-Nitroterephthalic acid hydrogen 1-methyl ester, 2-NITROTEREPHTHALIC ACID-1-METHYLCARBOXYLATE, 1,4-Benzenedicarboxylic acid, 2-nitro-, 1-methyl e, I01-19371, InChI=1/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12, C9H7NO6, C9-H7-N-O6, CID98592, 1-METHYL2-NITROTEREPHTHALATE, AR-1F7074, 1-Methyl 2-nitroterephthalate, 97% - 25G 25g, 36116-14-0,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.156g/mol
Monoisotopic Mass	225.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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