AG000DX7

1172085-67-4 | 1,2,4-Triazolo[4,3-a]pyridine, 5-bromo-

AG000DX7

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CAS Number	1172085-67-4
Catalog Number	AG000DX7(AGN-PC-0712JD)
Chemical Name	1,2,4-Triazolo[4,3-a]pyridine, 5-bromo-
IUPAC Name	5-bromo-[1,2,4]triazolo[4,3-a]pyridine
InChI	InChI=1S/C6H4BrN3/c7-5-2-1-3-6-9-8-4-10(5)6/h1-4H
InChI Key	HKIWBYJVFCZPIW-UHFFFAOYSA-N
MDL Number	MFCD11043995
Molecular Formula	C6H4BrN3
Molecular Weight	198.0201
SMILES	BrC1=CC=CC2=NN=CN12
Synonyms	5-Bromo-[1,2,4]triazolo[4,3-a]pyridine, 1172085-67-4, 5-BROMO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, QC-5, SCHEMBL2674502, CTK8E2278, DTXSID90656833, HKIWBYJVFCZPIW-UHFFFAOYSA-N, 9897AC, MFCD11043995, ZINC38538082, AKOS006308620, PB16306, RP08688, KS-000003F5, AJ-96287, AS-42050, SC-28380, 5-bromo-1,2,4-Triazolo[4,3-a]pyridine, AB0081647, DB-060978, TC-068365, CS-0050667, FT-0684801, ST24044539, 5-bromanyl-[1,2,4]triazolo[4,3-a]pyridine, C-8570, A803736, J-516765, W-204927, 1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 5-BROMO-, C6H4BrN3,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.023g/mol
Monoisotopic Mass	196.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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