AG003ROW

5081-42-5 | Methyl 2-nitro-3，4，5-trimethoxybenzoate

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CAS Number	5081-42-5
Catalog Number	AG003ROW(AGN-PC-0JLRKX)
Chemical Name	Methyl 2-nitro-3，4，5-trimethoxybenzoate
EC Number	225-794-8
IUPAC Name	methyl 3,4,5-trimethoxy-2-nitrobenzoate
InChI	InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3
InChI Key	HCEIEWYPDCDNNU-UHFFFAOYSA-N
MDL Number	MFCD00007097
Molecular Formula	C11H13NO7
Molecular Weight	271.2234
NSC Number	20282
SMILES	O=C(OC)C1=CC(OC)=C(OC)C(OC)=C1[N+]([O-])=O
Synonyms	5081-42-5, Methyl 2-nitro-3,4,5-trimethoxybenzoate, Methyl 3,4,5-trimethoxy-2-nitrobenzoate, Methyl 6-nitro-3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxy-2-nitrobenzoic acid methyl ester, Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester, 2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester, MLS000780066, HCEIEWYPDCDNNU-UHFFFAOYSA-N, MFCD00007097, SMR000420249, NSC20282, EINECS 225-794-8, PubChem22545, Opera_ID_1985, ACMC-1AR8W, AC1L2VX0, AC1Q1YC0, Oprea1_214038, SCHEMBL2907457, CHEMBL1712374, DTXSID1063695, CTK3J6901, HCEIEWYPDCDNNU-UHFFFAOYSA-, ZINC56612, HMS2780G08, 7385AH, BBL027634, NSC-20282, SBB057666, STK526475, AKOS005459711, MCULE-7311223974, Methyl 3,5-trimethoxy-2-nitrobenzoate, Methyl 6-nitro-3,5-trimethoxybenzoate, NCGC00246437-01, AC-23718, AJ-09337, ZB001741, RT-003357, TL8007290, AM20080909, FT-0628465, ST50319947, A-7896, 3,5-Trimethoxy-2-nitrobenzoic acid methyl ester, Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%, 3,4,5-Trimethoxy-2-nitro-benzoic acid methyl ester, Benzoic acid,4,5-trimethoxy-2-nitro-, methyl ester, I01-17036, InChI=1/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3, C11H13NO7, NSC 20282, CID78765, AR-1J5654, C11-H13-N-O7, 52306-35-1,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.069g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.225g/mol
Monoisotopic Mass	271.069g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	99.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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