AG00DHV0

43024-70-0 | Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate

AG00DHV0

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CAS Number	43024-70-0
Catalog Number	AG00DHV0(AGN-PC-0N5AJG)
Chemical Name	Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
IUPAC Name	ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI	InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2H2,1H3
InChI Key	JHEDDGFTBNFOOK-UHFFFAOYSA-N
MDL Number	MFCD11973833
Molecular Formula	C9H8ClN3O2
Molecular Weight	225.6317
SMILES	O=C(C1=C(Cl)N2C(N=C1)=CC=N2)OCC
Synonyms	Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate, 43024-70-0, ACMC-209jsf, CHEMBL79185, SCHEMBL3615280, CTK6F7202, DTXSID80440768, JHEDDGFTBNFOOK-UHFFFAOYSA-N, ANW-29917, MFCD11973833, SC2861, ZINC26485203, AKOS015843473, PB13486, RP09539, ACM43024700, AJ-82459, AK-30791, AS-54633, BR-30791, CJ-17483, SC-35785, AB0024895, AX8224289, DB-070385, ST2413065, TR-039730, CS-0053836, FT-0685758, W6254, S-6336, I03-820, Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxyl, J-521221, 7-Chloro-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester, C9H8ClN3O2, CID10489397, Ethyl 2-chloro-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-3-carboxylate,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.031g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.632g/mol
Monoisotopic Mass	225.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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