AG000PCF

1196156-95-2 | Pyrimidine, 5-chloro-2-ethynyl-

AG000PCF

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CAS Number	1196156-95-2
Catalog Number	AG000PCF(AGN-PC-0WAMU0)
Chemical Name	Pyrimidine, 5-chloro-2-ethynyl-
IUPAC Name	5-chloro-2-ethynylpyrimidine
InChI	InChI=1S/C6H3ClN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChI Key	LTPMEHQKKDZOOH-UHFFFAOYSA-N
MDL Number	MFCD13189795
Molecular Formula	C6H3ClN2
Molecular Weight	138.5544
SMILES	C#CC1=NC=C(Cl)C=N1
Synonyms	5-Chloro-2-ethynylpyrimidine, 1196156-95-2, AK-78635, DTXSID60856247, Pyrimidine, 5-chloro-2-ethynyl-, KS-00000PI5, MFCD13189795, ZINC79047841, AKOS016015033, AB69135, FCH1173835, MP-1234, CJ-21963, DA-17680, DS-17377, SC-51439, AB0052187, AJ-122965, AX8222960, 4CH-011189, FT-0757406, ST24024021, Z3962, F2167-5020, C6H3ClN2,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.998g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.554g/mol
Monoisotopic Mass	137.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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

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