AG0073SC

40258-73-9 | Methyl 3-broMo-4-Methoxy-5-nitrobenzoate

AG0073SC

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CAS Number	40258-73-9
Catalog Number	AG0073SC(AGN-PC-0WO06K)
Chemical Name	Methyl 3-broMo-4-Methoxy-5-nitrobenzoate
IUPAC Name	methyl 3-bromo-4-methoxy-5-nitrobenzoate
InChI	InChI=1S/C9H8BrNO5/c1-15-8-6(10)3-5(9(12)16-2)4-7(8)11(13)14/h3-4H,1-2H3
InChI Key	FTUNSACBIXMAPH-UHFFFAOYSA-N
MDL Number	MFCD09881752
Molecular Formula	C9H8BrNO5
Molecular Weight	290.0675
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=C(OC)C(Br)=C1
Synonyms	40258-73-9, methyl 3-bromo-4-methoxy-5-nitrobenzoate, 3-Bromo-4-methoxy-5-nitro-benzoic acid methyl ester, methyl3-bromo-4-methoxy-5-nitrobenzoate, ACMC-209jce, CTK8B1629, DTXSID30589914, ANW-29340, MFCD09881752, ZINC20227872, AKOS000299680, ACM40258739, CJ-16575, SC-53906, TC-118085, V5767, C9H8BrNO5, 3-Bromo-4-methoxy-5-nitro-benzoic acid methyl ester, 98% - 1G 1g,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.959g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.069g/mol
Monoisotopic Mass	288.959g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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