AG00609C

6937-28-6 | Butanoic acid,2-bromo-2-ethyl-,ethyl ester

AG00609C

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CAS Number	6937-28-6
Catalog Number	AG00609C(AGN-PC-0JODP6)
Chemical Name	Butanoic acid,2-bromo-2-ethyl-,ethyl ester
IUPAC Name	ethyl 2-bromo-2-ethylbutanoate
InChI	InChI=1S/C8H15BrO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6H2,1-3H3
InChI Key	YIFZOOLBLJRSBG-UHFFFAOYSA-N
MDL Number	MFCD00017856
Molecular Formula	C8H15BrO2
Molecular Weight	223.1075
NSC Number	41719
SMILES	O=C(OCC)C(CC)(CC)Br
Synonyms	6937-28-6, ETHYL alpha-BROMODIETHYLACETATE, ethyl 2-bromo-2-ethylbutanoate, alpha-Bromodiethylacetic Acid Ethyl Ester, Butanoic acid,2-bromo-2-ethyl-,ethyl ester, NSC41719, AC1L5ZNH, ethyl a-bromodiethylacetate, SCHEMBL3987636, CTK5C9540, DTXSID80285419, YIFZOOLBLJRSBG-UHFFFAOYSA-N, AC1Q2458, ZINC1673557, KM1262, MFCD00017856, NSC-41719, AK175935, BP-13172, CJ-06168, FT-0663697, V7332, Butanoic acid, 2-bromo-2-ethyl-, ethyl ester, C8H15BrO2, ethylalpha-bromodiethylacetate, |A-Bromodiethylacetic Acid Ethyl Ester, AR-1I8325, CID237833, 81361-00-4,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.026g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.11g/mol
Monoisotopic Mass	222.026g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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