AG00DC45

55710-80-0 | T-Butyl 3-chloropropanoate

AG00DC45

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CAS Number	55710-80-0
Catalog Number	AG00DC45(AGN-PC-0JSBAF)
Chemical Name	T-Butyl 3-chloropropanoate
IUPAC Name	tert-butyl 3-chloropropanoate
InChI	InChI=1S/C7H13ClO2/c1-7(2,3)10-6(9)4-5-8/h4-5H2,1-3H3
InChI Key	PGULCJLBEJUCRO-UHFFFAOYSA-N
MDL Number	MFCD01569942
Molecular Formula	C7H13ClO2
Molecular Weight	164.6299
SMILES	ClCCC(=O)OC(C)(C)C
Synonyms	tert-butyl 3-chloropropanoate, 55710-80-0, t-Butyl 3-chloropropanoate, PGULCJLBEJUCRO-UHFFFAOYSA-N, Propanoic acid, 3-chloro, 1,1-dimethylethyl ester, Propanoic acid, 3-chloro-, 1,1-dimethylethyl ester, AC1LAYH9, t-butyl 3-chloropropan-oate, SCHEMBL1410283, CTK1F6253, tert-butyl beta -chloropropionate, DTXSID80335206, ZINC2574899, MFCD01569942, AKOS006279264, DS-7643, NE26576, AJ-42278, AK143357, FT-0696313, B50560, T-BUTYL3-CHLOROPROPANOATE, CID523716,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.06g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.629g/mol
Monoisotopic Mass	164.06g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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