AG003E7S

51575-83-8 | 1-Chlorooct-2-yne

AG003E7S

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CAS Number	51575-83-8
Catalog Number	AG003E7S(AGN-PC-0L9MMN)
Chemical Name	1-Chlorooct-2-yne
IUPAC Name	1-chlorooct-2-yne
InChI	InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3
InChI Key	OUMUOQQKEAGFCJ-UHFFFAOYSA-N
MDL Number	MFCD00274223
Molecular Formula	C8H13Cl
Molecular Weight	144.6418
SMILES	CCCCCC#CCCl
Synonyms	1-Chloro-2-octyne, 1-chlorooct-2-yne, 51575-83-8, MFCD00274223, ACMC-1ASDA, AC1Q2VMD, 1-Chloro-2-octyne, 98%, SCHEMBL743189, AC1N8T25, CTK4J4490, OUMUOQQKEAGFCJ-UHFFFAOYSA-, DTXSID90402216, ZINC2564782, ANW-31291, FCH963843, AKOS006221474, ACM51575838, KS-0000175F, TR-018357, FT-0691008, I14-47175, InChI=1/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3, CID4349444, C1480,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.071g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.642g/mol
Monoisotopic Mass	144.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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