AG000SJ2

1263060-07-6 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-, ethyl ester

AG000SJ2

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CAS Number	1263060-07-6
Catalog Number	AG000SJ2(AGN-PC-0WAD4F)
Chemical Name	Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-, ethyl ester
IUPAC Name	ethyl 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI	InChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-3-11-8-7(10)4-12-13(8)5-6/h3-5H,2H2,1H3
InChI Key	JXEWHTHFTOYWHN-UHFFFAOYSA-N
MDL Number	MFCD21642056
Molecular Formula	C9H8BrN3O2
Molecular Weight	270.0827
SMILES	O=C(C1=CN2C(N=C1)=C(Br)C=N2)OCC
Synonyms	ETHYL 3-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE, 1263060-07-6, JXEWHTHFTOYWHN-UHFFFAOYSA-N, SCHEMBL16111648, KS-000006PS, MFCD21642056, ZINC95629946, AKOS025291173, PB19769, AK171562, AS-34344, CS-0049487, Q-3047, Ethyl3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylate, Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-, ethyl ester,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.98g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.086g/mol
Monoisotopic Mass	268.98g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

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