AG001UOW

164161-49-3 | Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester

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CAS Number	164161-49-3
Catalog Number	AG001UOW(AGN-PC-03UJKX)
Chemical Name	Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester
IUPAC Name	methyl 4-methoxy-2-nitro-5-phenylmethoxybenzoate
InChI	InChI=1S/C16H15NO6/c1-21-14-9-13(17(19)20)12(16(18)22-2)8-15(14)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key	SHQBNKDRVJNGDX-UHFFFAOYSA-N
MDL Number	MFCD17168894
Molecular Formula	C16H15NO6
Molecular Weight	317.2934
SMILES	C(C1=CC=CC=C1)OC2=CC(=C(C=C2OC)[N+](=O)[O-])C(=O)OC
Synonyms	Methyl 5-Benzyloxy-4-methoxy-2-nitrobenzoate, 164161-49-3, methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate, AK-39992, SCHEMBL1013111, CTK4D1739, KS-00000OOV, DTXSID30627446, SHQBNKDRVJNGDX-UHFFFAOYSA-N, ANW-50372, MFCD17168894, ZINC71787963, AKOS015839344, CS-W003890, DS-1046, BR-39992, SY011537, AB0022665, AJ-118541, AX8212204, TR-035860, 4CH-010392, ST24025403, W3579, MFCD17168894 (95%), S-4800, Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester, C16H15NO6,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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