AG00DKVL

54230-90-9 | 8-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

AG00DKVL

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CAS Number	54230-90-9
Catalog Number	AG00DKVL(AGN-PC-0WCKI6)
Chemical Name	8-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name	8-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
InChI	InChI=1S/C7H6BrN3/c1-5-9-10-7-6(8)3-2-4-11(5)7/h2-4H,1H3
InChI Key	DWOFCCIXSLDUSD-UHFFFAOYSA-N
MDL Number	MFCD15144595
Molecular Formula	C7H6BrN3
Molecular Weight	212.0466
SMILES	CC1=NN=C2C(Br)=CC=CN21
Synonyms	8-BROMO-3-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, 54230-90-9, AK170744, 1,2,4-Triazolo[4,3-a]pyridine, 8-bromo-3-methyl-, SCHEMBL1155698, DWOFCCIXSLDUSD-UHFFFAOYSA-N, KS-000003YI, MFCD15144595, ZINC79065077, FCH1388542, PB15189, AS-51049, DA-05052, CS-0049961, FT-0698551, 8-bromo-3-methyl-sym-triazolo[4,3-a]pyridine, Q-1979, 8-Bromo-3-methyl[1,2,4]-triazolo[4,3-a]pyridine, 8-Bromo-3-methyl[1,2,4]triazolo[4,3-a]pyridine, 8-Bromo-3-methyl [1,2,4]-triazolo[4,3-a]pyridine,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.975g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.05g/mol
Monoisotopic Mass	210.975g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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