AG005DDO

742058-39-5 | 2-(Benzyloxy)-5-bromopyrimidine

AG005DDO

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CAS Number	742058-39-5
Catalog Number	AG005DDO(AGN-PC-067UCS)
Chemical Name	2-(Benzyloxy)-5-bromopyrimidine
IUPAC Name	5-bromo-2-phenylmethoxypyrimidine
InChI	InChI=1S/C11H9BrN2O/c12-10-6-13-11(14-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key	RDGZEALFIOPSCC-UHFFFAOYSA-N
MDL Number	MFCD07375140
Molecular Formula	C11H9BrN2O
Molecular Weight	265.1060
SMILES	BrC1=CN=C(OCC2=CC=CC=C2)N=C1
Synonyms	742058-39-5, 2-BENZYLOXY-5-BROMOPYRIMIDINE, 2-(BENZYLOXY)-5-BROMOPYRIMIDINE, 2-BENZYLOXY-5-BROMO-PYRIMIDINE, MFCD07375140, ACMC-209otq, SCHEMBL1735498, CTK2H7002, 5-bromo-2-phenylmethoxypyrimidine, DTXSID30654777, RDGZEALFIOPSCC-UHFFFAOYSA-N, ANW-36444, ZINC12359453, 5-bromanyl-2-phenylmethoxy-pyrimidine, AKOS006296609, AB41273, AM87168, MCULE-3165179589, QC-5585, RTR-023981, AJ-61514, TR-023981, ST24039557, V7569, B-4029, A838060, I03-809, C11H9BrN2O,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.99g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.11g/mol
Monoisotopic Mass	263.99g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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