AG000ZD1

1315364-91-0 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-

AG000ZD1

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CAS Number	1315364-91-0
Catalog Number	AG000ZD1(AGN-PC-0WBRTJ)
Chemical Name	Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-
IUPAC Name	5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI	InChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13)
InChI Key	SAMKKKTWKGAXIC-UHFFFAOYSA-N
MDL Number	MFCD20482240
Molecular Formula	C7H4ClN3O2
Molecular Weight	197.5786
SMILES	O=C(C1=C2N=C(Cl)C=CN2N=C1)O
Synonyms	5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 1315364-91-0, SCHEMBL461050, DTXSID10856494, 5855AA, MFCD20482240, ZINC95093485, AKOS016842612, FCH1605320, PB15443, KS-000006Y1, AK134797, AS-42520, AJ-132575, AX8256149, ST2406224, 4CH-017410, CS-0050511, Q-2969, Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-, C7H4ClN3O2, 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylicacid, 16681-67-7,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.999g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.578g/mol
Monoisotopic Mass	196.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number