AG003B6H

5197-28-4 | 2-Bromo-1-methoxy-4-nitrobenzene

AG003B6H

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CAS Number	5197-28-4
Catalog Number	AG003B6H(AGN-PC-0JLRNC)
Chemical Name	2-Bromo-1-methoxy-4-nitrobenzene
EC Number	225-983-5
IUPAC Name	2-bromo-1-methoxy-4-nitrobenzene
InChI	InChI=1S/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChI Key	JMUDXQVNBZCQRF-UHFFFAOYSA-N
MDL Number	MFCD00041242
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
NSC Number	143545
SMILES	N(=O)(=O)c1cc(Br)c(cc1)OC
Synonyms	2-Bromo-4-nitroanisole, 5197-28-4, 2-bromo-1-methoxy-4-nitrobenzene, 3-Bromo-4-methoxynitrobenzene, Anisole, 2-bromo-4-nitro-, BENZENE, 2-BROMO-1-METHOXY-4-NITRO-, 2-bromo-1-methoxy-4-nitro-benzene, MFCD00041242, EINECS 225-983-5, NSC143545, PubChem4133, 2-bromo4-nitroanisole, 4-Nitro-2-bromanisol, ACMC-1AWKM, 2-bromo-4-nitro-anisole, AC1L2W4Y, AC1Q25UD, KSC498A8P, SCHEMBL145997, 2-Bromo-4-nitroanisole, 97%, CTK3J8087, JMUDXQVNBZCQRF-UHFFFAOYSA-, DTXSID10199934, JMUDXQVNBZCQRF-UHFFFAOYSA-N, ACT07733, ZINC1727322, ANW-31374, BBL025812, SBB054167, STL366088, WT1550, 2-bromanyl-1-methoxy-4-nitro-benzene, AKOS015831623, AN-1606, AS01812, AS04219, MCULE-7228093703, NSC-143545, PS-5438, RP27992, RTR-018491, VZ23999, 5197-28-4 2-Bromo-4-nitroanisole, AC-29202, AJ-31122, AK-79112, BC002725, CJ-29353, SC-78409, SY017182, AB0020545, DB-020647, TR-018491, AM20040618, B2830, CS-0015276, FT-0611468, ST24032396, ST50408760, V1456, MFCD00041242 (98%), C-4674, A828865, AF-962/00506057, I01-8204, J-508318, InChI=1/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3, C7H6BrNO3, C7-H6-Br-N-O3, CID78870, AR-1H7393, ACN-050499, 53207-33-3,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.953g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.033g/mol
Monoisotopic Mass	230.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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