AG0008W5

1135283-08-7 | Pyrimidine, 5-bromo-2-ethynyl-

AG0008W5

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CAS Number	1135283-08-7
Catalog Number	AG0008W5(AGN-PC-05VAA0)
Chemical Name	Pyrimidine, 5-bromo-2-ethynyl-
IUPAC Name	5-bromo-2-ethynylpyrimidine
InChI	InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChI Key	ZHOLVGVOMDUCDY-UHFFFAOYSA-N
MDL Number	MFCD11840983
Molecular Formula	C6H3BrN2
Molecular Weight	183.0054
SMILES	BrC1=CN=C(N=C1)C#C
Synonyms	5-bromo-2-ethynylpyrimidine, 1135283-08-7, bromoethynylpyrimidine, CTK5J0651, DTXSID60653894, (5-Bromopyrimidin-2-yl)acetylene, 5-Bromo-2-ethynyl-1,3-diazine, KS-00001PU2, ZX-AT020661, 2307AA, ANW-56204, FCH923175, MFCD11840983, SBB089982, ZINC32911350, AKOS005071690, AB64558, AD-0794, CB-3741, MCULE-7047230150, OR43606, RP10973, AJ-85542, AK-31827, BBV-38361438, SC-28361, AX8196330, TR-064260, I03-0452, J-516922, C6H3BrN2, A15136,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.948g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.008g/mol
Monoisotopic Mass	181.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number