AG00GXFP

866683-52-5 | 3-Bromo-5-ethynylpyridine

AG00GXFP

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CAS Number	866683-52-5
Catalog Number	AG00GXFP(AGN-PC-00P6XQ)
Chemical Name	3-Bromo-5-ethynylpyridine
IUPAC Name	3-bromo-5-ethynylpyridine
InChI	InChI=1S/C7H4BrN/c1-2-6-3-7(8)5-9-4-6/h1,3-5H
InChI Key	KMTYILRNJPSUDX-UHFFFAOYSA-N
MDL Number	MFCD10698137
Molecular Formula	C7H4BrN
Molecular Weight	182.0174
SMILES	C#CC1=CN=CC(Br)=C1
Synonyms	3-BROMO-5-ETHYNYLPYRIDINE, 866683-52-5, MFCD10698137, 3-bromanyl-5-ethynyl-pyridine, SCHEMBL1476199, (5-Bromopyridin-3-yl)acetylene, DTXSID40572650, KMTYILRNJPSUDX-UHFFFAOYSA-N, ZX-AT017941, ZINC34552696, AKOS006303184, AB61376, FCH2614826, OR53006, PYRIDINE, 3-BROMO-5-ETHYNYL-, QC-3832, RL05367, AJ-89286, AK131904, AS-35503, BBV-38319016, AB0073313, AX8252827, FT-0709584, C-0112, A841765, AS-813/43501532, J-512010, 3-bromo-5-ethynylpyridine, 95% - 1G 1g,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.953g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.02g/mol
Monoisotopic Mass	180.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number