AG00CKQD

31872-76-1 | 1-BROMO-2-METHOXY-3-NITRO-BENZENE

AG00CKQD

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CAS Number	31872-76-1
Catalog Number	AG00CKQD(AGN-PC-03QBTQ)
Chemical Name	1-BROMO-2-METHOXY-3-NITRO-BENZENE
IUPAC Name	3-bromo-4-methoxy-5-nitropyridine
InChI	InChI=1S/C6H5BrN2O3/c1-12-6-4(7)2-8-3-5(6)9(10)11/h2-3H,1H3
InChI Key	UIQZXGXNJIZTOQ-UHFFFAOYSA-N
MDL Number	MFCD16619117
Molecular Formula	C6H5BrN2O3
Molecular Weight	233.0195
SMILES	O=[N+](C1=CN=CC(Br)=C1OC)[O-]
Synonyms	3-BROMO-4-METHOXY-5-NITROPYRIDINE, 31872-76-1, AK-54482, KSC914K3N, SCHEMBL20517661, CTK8B4536, DTXSID10677242, ANW-45412, MFCD16619117, ZINC66327854, AKOS015891916, FCH1345922, CJ-21289, DS-14476, SY022535, AJ-116069, AX8215425, DB-068540, ST2404944, TC-134157, 4CH-018296, CS-0041787, FT-0713224, W5376, MFCD16619117 (95%), I02-2135, C6H5BrN2O3, ACN-026990, 1-BROMO-2-METHOXY-3-NITRO-BENZENE,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.948g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.021g/mol
Monoisotopic Mass	231.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number