AG000PBX

1196155-22-2 | 4-Bromo-2-ethynylpyridine

AG000PBX

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CAS Number	1196155-22-2
Catalog Number	AG000PBX(AGN-PC-04369D)
Chemical Name	4-Bromo-2-ethynylpyridine
IUPAC Name	4-bromo-2-ethynylpyridine
InChI	InChI=1S/C7H4BrN/c1-2-7-5-6(8)3-4-9-7/h1,3-5H
InChI Key	IHWUEWABOVLRAW-UHFFFAOYSA-N
MDL Number	MFCD13189721
Molecular Formula	C7H4BrN
Molecular Weight	182.0174
SMILES	C#CC1=NC=CC(=C1)Br
Synonyms	4-bromo-2-ethynylpyridine, 1196155-22-2, Pyridine, 4-bromo-2-ethynyl-, SCHEMBL5700514, CTK4B1407, DTXSID50634112, ZINC71864090, AKOS015951452, AB68985, FCH1177965, AK123558, CJ-21625, AB1010117, AJ-118866, AX8247736, ST2418161, null,

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	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2810

Certificate of Analysis

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