AG00388M

1119-75-1 | 2-Chloroethyl stearate

AG00388M

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CAS Number	1119-75-1
Catalog Number	AG00388M(AGN-PC-0JL9VJ)
Chemical Name	2-Chloroethyl stearate
IUPAC Name	2-chloroethyl octadecanoate
InChI	InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h2-19H2,1H3
InChI Key	QLBIYHGOHHPBCC-UHFFFAOYSA-N
MDL Number	MFCD06252457
Molecular Formula	C20H39ClO2
Molecular Weight	346.9755
SMILES	C(CCCCCCCCCCCCCCCCC)(=O)OCCCl
UNII	3BR0460WU5
Synonyms	2-chloroethyl stearate, 2-Chloroethyl stearate, 2-chloroethyl octadecanoate, UNII-3BR0460WU5, 1119-75-1, Octadecanoic acid, 2-chloroethyl ester, 3BR0460WU5, 2-chloroethylstearate, AI3-03512, AC1L2EOG, AC1Q3V9H, SCHEMBL5318935, DTXSID2074451, CTK4A7600, Stearic acid 2-chloroethyl ester, QLBIYHGOHHPBCC-UHFFFAOYSA-N, SBB061383, Octadecanoic acid,2-chloroethyl ester, AKOS024390976, ZINC100077560, MCULE-7434426499, ST51047403, C20H39ClO2, C20-H39-Cl-O2, CID70707, AR-1E0520, 1127-01-1,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.264g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	346.98g/mol
Monoisotopic Mass	346.264g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number