AG007PL3

1208084-77-8 | 8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine

AG007PL3

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CAS Number	1208084-77-8
Catalog Number	AG007PL3(AGN-PC-0J0Y31)
Chemical Name	8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine
IUPAC Name	8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine
InChI	InChI=1S/C5H3BrN4/c6-4-1-7-2-10-3-8-9-5(4)10/h1-3H
InChI Key	PWBGVYGIQJQOKQ-UHFFFAOYSA-N
MDL Number	MFCD12403879
Molecular Formula	C5H3BrN4
Molecular Weight	199.0081
SMILES	BrC1=CN=CN2C1=NN=C2
Synonyms	8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine, 1208084-77-8, 8-BROMO[1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE, AK-88001, CTK8C1993, DTXSID50743571, KS-000003FS, ANW-67591, MFCD12403879, ZINC40539403, AKOS016006552, FCH1163276, PB17972, DS-18415, AJ-103394, AX8236960, TC-156336, Q-2048,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.954g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.011g/mol
Monoisotopic Mass	197.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.1A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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