AG0037QP

153286-94-3 | Pyrimidine, 5-ethynyl-

AG0037QP

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CAS Number	153286-94-3
Catalog Number	AG0037QP(AGN-PC-0K5QDI)
Chemical Name	Pyrimidine, 5-ethynyl-
IUPAC Name	5-ethynylpyrimidine
InChI	InChI=1S/C6H4N2/c1-2-6-3-7-5-8-4-6/h1,3-5H
InChI Key	GFVQKBROKWSUNG-UHFFFAOYSA-N
MDL Number	MFCD01936255
Molecular Formula	C6H4N2
Molecular Weight	104.1094
SMILES	C#Cc1cncnc1
Synonyms	5-ethynylpyrimidine, 153286-94-3, 5-Ethynyl-pyrimidine, Pyrimidine, 5-ethynyl-, Pyrimidine, 5-ethynyl- (9CI), AC1LROZK, ACMC-209z0i, 5-ETYNYL-PYRIMIDINE, 5-Ethynylpyrimidine, 95%, SCHEMBL2224339, 5-Ethynylpyrimidine, AldrichCPR, CTK0G9525, KS-00000HQE, DTXSID50363071, GFVQKBROKWSUNG-UHFFFAOYSA-N, ZINC1387208, ANW-49648, MFCD01936255, AKOS008901243, AN-3090, CS-W019603, PB12263, RP18831, VP50288, AJ-25458, AK-31058, BR-31058, CJ-04873, SC-49562, AB0022469, DB-008973, ST2411996, TC-138393, 4CH-003276, FT-0717534, W3340, E80005, S-5748, J-517484, Z1741975460, C6H4N2, ZINC01387208, CID1475194, 3-chloro-N-(4-chlorobenzyl)propanamide,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	104.037g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	104.112g/mol
Monoisotopic Mass	104.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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