AG003J2J

1378861-55-2 | 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

AG003J2J

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CAS Number	1378861-55-2
Catalog Number	AG003J2J(AGN-PC-0WAM6V)
Chemical Name	3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name	3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
InChI	InChI=1S/C6H8BrN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H2
InChI Key	XDINJRVXGNVXRV-UHFFFAOYSA-N
MDL Number	MFCD17215706
Molecular Formula	C6H8BrN3
Molecular Weight	202.0518
SMILES	BrC1N2C(CCCC2)=NN=1
Synonyms	3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine, 1378861-55-2, SCHEMBL18027919, KS-00000E8A, 5831AJ, MFCD17215706, ZINC90627366, AKOS023631613, FCH1358531, TRA0161332, AS-32548, SY014003, TC-307403, Z-4234, MFCD17215706 (95+%), 3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine, C6H8BrN3, 3-bromo-5,6,7,8-tetrahydro-1,2,4-Triazolo[4,3-a]pyridine, 332121-90-1,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.99g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.055g/mol
Monoisotopic Mass	200.99g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.7A^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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