AG002KA1

209528-69-8 | Methyl 3-(benzyloxy)-4-nitrobenzoate

AG002KA1

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CAS Number	209528-69-8
Catalog Number	AG002KA1(AGN-PC-003JRJ)
Chemical Name	Methyl 3-(benzyloxy)-4-nitrobenzoate
IUPAC Name	methyl 4-nitro-3-phenylmethoxybenzoate
InChI	InChI=1S/C15H13NO5/c1-20-15(17)12-7-8-13(16(18)19)14(9-12)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key	HQCJSGXSVJQJRW-UHFFFAOYSA-N
MDL Number	MFCD12827787
Molecular Formula	C15H13NO5
Molecular Weight	287.2674
SMILES	O=[N+]([O-])C2(=C(OCC1(=CC=CC=C1))C=C(C(=O)OC)C=C2)
Synonyms	Methyl 3-(benzyloxy)-4-nitrobenzoate, 209528-69-8, Methyl 3-(benzyloxy)-4-nitrobenzenecarboxylate, SCHEMBL527105, CTK6I9783, DTXSID90567612, HQCJSGXSVJQJRW-UHFFFAOYSA-N, KS-000025GB, 0720AB, ANW-55212, MFCD12827787, ZINC40564521, methyl-3-(benzyloxy)-4-nitrobenzoate, AKOS005072943, methyl 4-nitro-3-phenylmethoxybenzoate, GD-0029, RP15699, AJ-103461, RT-022993, TR-064916, 3-benzyloxy-4-nitro-benzoic acid methyl ester, C15H13NO5, Methyl3-(benzyloxy)-4-nitrobenzoate,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.079g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	287.271g/mol
Monoisotopic Mass	287.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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