AG001CSB

1408058-14-9 | Pentanoic acid, 5-(chlorosulfonyl)-, methyl ester

AG001CSB

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CAS Number	1408058-14-9
Catalog Number	AG001CSB(AGN-PC-0JEK3N)
Chemical Name	Pentanoic acid, 5-(chlorosulfonyl)-, methyl ester
IUPAC Name	methyl 5-chlorosulfonylpentanoate
InChI	InChI=1S/C6H11ClO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H2,1H3
InChI Key	IECLVGBBQICKPG-UHFFFAOYSA-N
MDL Number	MFCD22574974
Molecular Formula	C6H11ClO4S
Molecular Weight	214.6671
SMILES	O=C(OC)CCCCS(=O)(Cl)=O
Synonyms	Methyl 5-(Chlorosulfonyl)pentanoate, 1408058-14-9, methyl 5-chlorosulfonylpentanoate, C6H11ClO4S, KSC941Q8T, SCHEMBL19402824, CTK8E1889, KS-00000BOE, Methyl5-(Chlorosulfonyl)pentanoate, 7102AJ, MFCD22574974, AKOS027256585, ZINC100099492, RTR-030067, SY019028, FT-0722883, MFCD22574974 (95%), Pentanoic acid, 5-(chlorosulfonyl)-, methyl ester, 7-Aminocephalosporanic acid, 957-68-6,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.007g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.66g/mol
Monoisotopic Mass	214.007g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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