AG00ECE5

61032-41-5 | Methyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

AG00ECE5

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CAS Number	61032-41-5
Catalog Number	AG00ECE5(AGN-PC-03UJHN)
Chemical Name	Methyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate
IUPAC Name	methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
InChI	InChI=1S/C16H15NO6/c1-21-14-8-12(16(18)22-2)13(17(19)20)9-15(14)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key	GUOGVJFNFLXSLK-UHFFFAOYSA-N
MDL Number	MFCD09037843
Molecular Formula	C16H15NO6
Molecular Weight	317.2934
SMILES	COC(=O)C1=C(C=C(OCC2=CC=CC=C2)C(OC)=C1)[N+]([O-])=O
Synonyms	Methyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate, 61032-41-5, methyl 4-benzyloxy-5-methoxy-2-nitrobenzoate, Benzoic acid, 5-methoxy-2-nitro-4-(phenylmethoxy)-, methyl ester, 4-Benzyloxy-5-methoxy-2-nitro-benzoic Acid Methyl Ester, SCHEMBL2063806, CTK2E8095, KS-00000QCI, DTXSID10627444, GUOGVJFNFLXSLK-UHFFFAOYSA-N, CS-M0194, 9132AB, ANW-64930, MFCD18207027, ZINC79045357, AKOS016005075, DS-4083, QC-1042, AC-25061, AK103291, AM807930, BC297772, DA-17167, AB0004112, AJ-122943, methyl 4benzyloxy-5-methoxy-2-nitrobenzoate, TC-153675, 4CH-021742, FT-0743403, ST24047876, C16H15NO6, Methyl4-(benzyloxy)-5-methoxy-2-nitrobenzoate, 4-Benzyloxy-5-methoxy-2-nitrobenzoic acid methylester,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.09g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.297g/mol
Monoisotopic Mass	317.09g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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

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