AG00G40Z

792180-52-0 | 5-Bromo-2-(piperidin-4-yloxy)pyrimidine

AG00G40Z

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CAS Number	792180-52-0
Catalog Number	AG00G40Z(AGN-PC-03RQV1)
Chemical Name	5-Bromo-2-(piperidin-4-yloxy)pyrimidine
IUPAC Name	5-bromo-2-piperidin-4-yloxypyrimidine
InChI	InChI=1S/C9H12BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h5-6,8,11H,1-4H2
InChI Key	BHBAYAHFPQOLRL-UHFFFAOYSA-N
MDL Number	MFCD08460365
Molecular Formula	C9H12BrN3O
Molecular Weight	258.1151
SMILES	BrC1=CN=C(OC2CCNCC2)N=C1
Synonyms	5-Bromo-2-(piperidin-4-yloxy)pyrimidine, 792180-52-0, 5-bromo-2-(4-piperidinyloxy)pyrimidine, PubChem15812, KS-00000HLL, DTXSID40626667, ANW-50950, MFCD08460365, SBB101963, ZINC16678705, 5-bromo-2-(4-piperidyloxy)pyrimidine, AKOS013187705, DS-0227, AJ-69076, AK-22119, BC004041, BR-22119, 5-bromanyl-2-piperidin-4-yloxy-pyrimidine, 5-Bromo-2-(piperidin-4-yloxy)-pyrimidine, AB0026749, DB-001872, TC-139695, TR-025230, 4CH-008328, 5-Bromo-2-[(piperidin-4-yl)oxy]pyrimidine, FT-0720730, ST24029353, W8487, S-4027, A839621, A1-02698, C9H12BrN3O, 5-BROMO-2- PYRIMIDINE, 5-Bromo-2-(pyridin-4-yloxy)-pyrimidine, 1017789-07-9,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.016g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.119g/mol
Monoisotopic Mass	257.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number