AG000T50

126717-60-0 | Pyridine, 3-bromo-2-methyl-6-(phenylmethoxy)-

AG000T50

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CAS Number	126717-60-0
Catalog Number	AG000T50(AGN-PC-0027NI)
Chemical Name	Pyridine, 3-bromo-2-methyl-6-(phenylmethoxy)-
IUPAC Name	3-bromo-2-methyl-6-phenylmethoxypyridine
InChI	InChI=1S/C13H12BrNO/c1-10-12(14)7-8-13(15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key	RBXCAMWLXQQRPW-UHFFFAOYSA-N
MDL Number	MFCD12406109
Molecular Formula	C13H12BrNO
Molecular Weight	278.1445
SMILES	BrC1=C(N=C(C=C1)OCC2=CC=CC=C2)C
Synonyms	126717-60-0, 5-Bromo-2-benzyloxy-6-methylpyridine, 6-(benzyloxy)-3-bromo-2-methylpyridine, 2-BENZYLOXY-5-BROMO-6-METHYLPYRIDINE, ACMC-1BXPA, KSC496G4J, SCHEMBL15515593, 6-Benzyloxy-3-bromo-2-picoline, CTK3J6344, KS-00000MUS, DTXSID50563271, RBXCAMWLXQQRPW-UHFFFAOYSA-N, ANW-49476, MFCD12406109, ZINC40448807, AKOS015834682, DS-0623, RP06590, RTR-003884, VP13608, AK-27978, BR-27978, CJ-20211, AB0035362, AJ-103025, ST2411768, TR-003884, 4CH-014998, FT-0648823, X9677, Pyridine,3-bromo-2-methyl-6-(phenylmethoxy)-, S-3967, Pyridine, 3-bromo-2-methyl-6-(phenylmethoxy)-, W-205257, C13H12BrNO,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.01g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.149g/mol
Monoisotopic Mass	277.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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

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