AG006WRX

500298-30-6 | 1-Bromo-3-methoxy-2-nitrobenzene

AG006WRX

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CAS Number	500298-30-6
Catalog Number	AG006WRX(AGN-PC-0JNUZM)
Chemical Name	1-Bromo-3-methoxy-2-nitrobenzene
IUPAC Name	1-bromo-3-methoxy-2-nitrobenzene
InChI	InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3
InChI Key	ORSPVBUIPTYLLO-UHFFFAOYSA-N
MDL Number	MFCD11101044
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
NSC Number	88011
SMILES	COC1=CC=CC(Br)=C1[N+]([O-])=O
Synonyms	3-Bromo-2-nitroanisole, 500298-30-6, 1-Bromo-3-methoxy-2-nitrobenzene, 2-Bromo-6-methoxynitrobenzene, 3-bromo-1-methoxy-2-nitrobenzene, Benzene, 1-bromo-3-methoxynitro-, bromonitroanisol, NSC88011, ACMC-209kjs, AC1Q5AEN, AC1L5ZL4, NCIOpen2_005349, KSC497O3N, SCHEMBL103199, 2-NITRO-3-BROMOANISOLE, CTK3J7736, DTXSID10293244, ORSPVBUIPTYLLO-UHFFFAOYSA-N, ACT12998, ZINC2022148, ANW-30902, MFCD11101044, NSC-88011, SBB055382, AKOS015834103, AM61557, Benzene, 1-bromo-3-methoxy-2-nitro-, MCULE-7967858547, PS-4756, RTR-032861, TRA0076358, AJ-32777, AK-35337, BC005101, AB0008666, DB-025073, TR-032861, B3486, FT-0675958, M-1810, I01-8331, C7H6BrNO3, AR-1F2213, CID258734, 5449-44-5,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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