AG008U47

1053656-37-3 | Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate

AG008U47

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CAS Number	1053656-37-3
Catalog Number	AG008U47(AGN-PC-0WQWJW)
Chemical Name	Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Name	methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI	InChI=1S/C8H5Cl2N3O2/c1-15-8(14)4-3-11-13-6(10)2-5(9)12-7(4)13/h2-3H,1H3
InChI Key	LCMDZGZZFUIKJQ-UHFFFAOYSA-N
MDL Number	MFCD10566316
Molecular Formula	C8H5Cl2N3O2
Molecular Weight	246.0502
SMILES	O=C(C1=C2N=C(Cl)C=C(Cl)N2N=C1)OC
Synonyms	methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate, 1053656-37-3, Methyl5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate, C8H5Cl2N3O2, CTK5H4692, ANW-48463, MFCD10566316, SC2461, ZINC30678383, AKOS015851306, GS-6341, RP09250, RP28728, KS-000026A6, AJ-84069, AK-27617, AN-26246, BR-27617, EN002022, SY006769, DB-059351, TR-029390, CS-0061817, FT-0646742, FT-0685582, ST24031120, X8756, MFCD10566316 (95%), S-7063, A844791, J-522687, W-204580, methyl 5,7-bis(chloranyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate, 5,7-dichloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester, 940284-55-9, ACN-032185,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.976g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.047g/mol
Monoisotopic Mass	244.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

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