AG001UUP

1643979-88-7 | Benzoic acid, 5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitro-

AG001UUP

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CAS Number	1643979-88-7
Catalog Number	AG001UUP(AGN-PC-0WANFW)
Chemical Name	Benzoic acid, 5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitro-
IUPAC Name	5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzoic acid
InChI	InChI=1S/C16H15NO7/c1-22-11-5-3-10(4-6-11)9-24-15-8-13(17(20)21)12(16(18)19)7-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,19)
InChI Key	HIVYTFMZOHFGAN-UHFFFAOYSA-N
MDL Number	MFCD28144964
Molecular Formula	C16H15NO7
Molecular Weight	333.2928
SMILES	O=C(O)C1=CC(OC)=C(OCC2=CC=C(OC)C=C2)C=C1[N+]([O-])=O
Synonyms	5-Methoxy-4-((4-methoxybenzyl)oxy)-2-nitrobenzoic acid, 1643979-88-7, AK163473, 5-Methoxy-4-[(4-methoxybenzyl)oxy]-2-nitrobenzoic Acid, 4-(4-methoxybenzyloxy)-5-methoxy-2-nitrobenzoic acid, KS-00000SOL, MFCD28144964, AKOS024464889, ZINC215768562, DS-8252, SY115128, ST24044842, MFCD28144964 (97%), Benzoic acid, 5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitro-, 5-Methoxy-4-(4-methoxy-benzyloxy)-2-nitro-benzoic acid,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.085g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	333.296g/mol
Monoisotopic Mass	333.085g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

Lot Number