AG006080

954815-08-8 | 3-BroMo-4-Methoxy-5-nitrobenzoic acid

AG006080

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CAS Number	954815-08-8
Catalog Number	AG006080(AGN-PC-0WNUVY)
Chemical Name	3-BroMo-4-Methoxy-5-nitrobenzoic acid
IUPAC Name	3-bromo-4-methoxy-5-nitrobenzoic acid
InChI	InChI=1S/C8H6BrNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	WYCKROZPOJCKCA-UHFFFAOYSA-N
MDL Number	MFCD09881755
Molecular Formula	C8H6BrNO5
Molecular Weight	276.0409
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(OC)C(Br)=C1
Synonyms	3-bromo-4-methoxy-5-nitrobenzoic acid, 954815-08-8, 3-Bromo-4-methoxy-5-nitro-benzoic acid, ACMC-209rz1, CTK8B2756, DTXSID90589915, ANW-40523, MFCD09881755, STK398959, ZINC20227870, AKOS000109364, 3-Bromo-4-methoxy-5-nitro-benzoicacid, MCULE-1074020446, AK183974, SC-53890, TC-129268, BB 0244811, CS-0061914, V9618, C8H6BrNO5, 3-Bromo-4-methoxy-5-nitro benzoicacid, 3-Bromo-4-methoxy-5-nitro-benzoic acid, 98% - 1G 1g,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.943g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.042g/mol
Monoisotopic Mass	274.943g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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