AG000AIF

114078-88-5 | 1,2,3-Triazine, 5-bromo-

AG000AIF

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CAS Number	114078-88-5
Catalog Number	AG000AIF(AGN-PC-0NYDDB)
Chemical Name	1,2,3-Triazine, 5-bromo-
IUPAC Name	5-bromotriazine
InChI	InChI=1S/C3H2BrN3/c4-3-1-5-7-6-2-3/h1-2H
InChI Key	LSBKXRBABHPHBW-UHFFFAOYSA-N
MDL Number	MFCD13193660
Molecular Formula	C3H2BrN3
Molecular Weight	159.9721
SMILES	BrC1=CN=NN=C1
Synonyms	5-Bromo-1,2,3-triazine, 114078-88-5, 1,2,3-Triazine, 5-bromo-, SCHEMBL18555357, DTXSID20552233, MFCD13193660, ZINC95831016, AKOS022175955, AC-30160, AK-31762, DS-11515, AJ-135155, FT-0696098, ST24044353, F8889-9186, ACN-051627,

Complexity	52.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.943g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.974g/mol
Monoisotopic Mass	158.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number