AG01A8CO

27126-42-7 | Ethyl 4-bromopentanoate

AG01A8CO

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CAS Number	27126-42-7
Catalog Number	AG01A8CO(AGN-PC-0JOWI7)
Chemical Name	Ethyl 4-bromopentanoate
IUPAC Name	ethyl 4-bromopentanoate
InChI	InChI=1S/C7H13BrO2/c1-3-10-7(9)5-4-6(2)8/h6H,3-5H2,1-2H3
InChI Key	CTVCPHLFHPQRNF-UHFFFAOYSA-N
MDL Number	MFCD16693250
Molecular Formula	C7H13BrO2
Molecular Weight	209.0809
NSC Number	245490
SMILES	CC(Br)CCC(OCC)=O
Synonyms	ethyl 4-bromopentanoate, 27126-42-7, ethyl 4-bromovalerate, ethyl 3-bromobutane-1-carboxylate, NSC245490, AC1L7UUW, SCHEMBL1206813, CTK4F9122, DTXSID70311812, 4-Bromopentanoic acid ethyl ester, CTVCPHLFHPQRNF-UHFFFAOYSA-N, AKOS011494975, Pentanoic acid,4-bromo-, ethyl ester, NSC-245490, Pentanoic acid, 4-bromo-, ethyl ester, CID316888,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.01g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.083g/mol
Monoisotopic Mass	208.01g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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