AG00HC6P

111770-86-6 | Pyridine, 5-bromo-2-ethynyl-

AG00HC6P

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CAS Number	111770-86-6
Catalog Number	AG00HC6P(AGN-PC-0000E2)
Chemical Name	Pyridine, 5-bromo-2-ethynyl-
IUPAC Name	5-bromo-2-ethynylpyridine
InChI	InChI=1S/C7H4BrN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChI Key	VGLAJERHBBEPQP-UHFFFAOYSA-N
MDL Number	MFCD03095276
Molecular Formula	C7H4BrN
Molecular Weight	182.0174
SMILES	C#CC1=NC=C(Br)C=C1
Synonyms	5-bromo-2-ethynylpyridine, 111770-86-6, Pyridine,5-bromo-2-ethynyl-, PYRIDINE, 5-BROMO-2-ETHYNYL-, AK-46984, PubChem1294, 2-Ethynyl-5-bromopyridine, 5-bromo-2-ethynyl-pyridine, ACMC-1C350, SCHEMBL2327695, AMPD00115, CTK4A7500, KS-00000DVS, DTXSID40553707, VGLAJERHBBEPQP-UHFFFAOYSA-N, ABBYPHARMA AP-17-5535, BCP26507, ANW-74891, MFCD03095276, ZINC21981757, AKOS006237138, AB13647, AM85481, CB-3756, FCH2593018, FS-3661, MP-0940, RTC-063080, AJ-78905, BBV-38269612, BC002139, BC227061, CJ-16997, N206, SC-00357, SY024562, AB0015624, AX8030196, ST2418637, 4CH-013218, FT-0653518, MFCD03095276 (98%), I02-1173, J-002625, F2167-5076, C7H4BrN, ACN-025773, B5179, A15117,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number