AG00336Z

14305-17-0 | 2-Bromopyridine 1-oxide

AG00336Z

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CAS Number	14305-17-0
Catalog Number	AG00336Z(AGN-PC-0JOLKL)
Chemical Name	2-Bromopyridine 1-oxide
IUPAC Name	2-bromo-1-oxidopyridin-1-ium
InChI	InChI=1S/C5H4BrNO/c6-5-3-1-2-4-7(5)8/h1-4H
InChI Key	NJCMNBWUKHLGIC-UHFFFAOYSA-N
MDL Number	MFCD05663705
Molecular Formula	C5H4BrNO
Molecular Weight	173.9954
NSC Number	174129
SMILES	BrC1=[N+](C=CC=C1)[O-]
UNII	NEJ3BM17KC
Synonyms	2-Bromopyridine 1-oxide, 14305-17-0, 2-Bromopyridine N-oxide, 2-Bromopyridine-N-oxide, 2-bromo-1-oxidopyridin-1-ium, Pyridine, 2-bromo-, 1-oxide, UNII-NEJ3BM17KC, NEJ3BM17KC, 2-bromopyridin-1-ium-1-olate, NSC-174129, J-400281, 2-Bromopyridine-1-oxide, NSC174129, 2-Bromopyridine1-oxide, AC1L6VGQ, PYBO01, alpha-Bromopyridine N-oxide, Pyridine, 2-bromo-,1-oxide, SCHEMBL1425201, CTK4C3456, DTXSID80306113, NJCMNBWUKHLGIC-UHFFFAOYSA-N, ZINC406973, ZX-AT014775, ANW-74963, EBD191983, MFCD05663705, AKOS015999527, 2-bromanyl-1-oxidanidyl-pyridin-1-ium, FCH1115187, MP-1315, OR14766, TRA0007582, AK-93463, AS-30816, CJ-04100, SY028296, ZB013716, AX8072302, DB-002436, TC-163708, FT-0712502, Z4162, MFCD05663705 (95+%), A808006, C5H4BrNO, CID300057, 2-Bromopyridine N-oxide hydrochloride, 80866-91-7,

Complexity	78.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.948g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.997g/mol
Monoisotopic Mass	172.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number