AG00IMQ7

99898-84-7 | 5-Chloropyrazolo[1,5-a]pyrimidin-7(1H)-one

AG00IMQ7

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CAS Number	99898-84-7
Catalog Number	AG00IMQ7(AGN-PC-0OPACL)
Chemical Name	5-Chloropyrazolo[1,5-a]pyrimidin-7(1H)-one
IUPAC Name	5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI	InChI=1S/C6H4ClN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H
InChI Key	IYNABQNUIXYONK-UHFFFAOYSA-N
MDL Number	MFCD27997216
Molecular Formula	C6H4ClN3O
Molecular Weight	169.5685
SMILES	O=C1C=C(Cl)NC2=CC=NN12
Synonyms	5-Chloropyrazolo[1,5-a]pyrimidin-7(1H)-one, 99898-84-7, 5-Chloropyrazolo[1,5-a]pyrimidin-7-ol, 5-Chloropyrazolo[1,5-a]pyrimidin-7(4H)-one, MFCD27997216, ZINC100162814, DS-9133, FCH3813863, 5-Chloropyrazolo(1,5-a)pyrimidin-7-one, AK149122, AJ-100531, AX8286410, CS-0060099, 5-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one, N/A,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.004g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.568g/mol
Monoisotopic Mass	169.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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