AG00355X

23426-63-3 | Methyl 2-bromo-2-methylpropanoate

AG00355X

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CAS Number	23426-63-3
Catalog Number	AG00355X(AGN-PC-0JLYFJ)
Chemical Name	Methyl 2-bromo-2-methylpropanoate
EC Number	245-657-6
IUPAC Name	methyl 2-bromo-2-methylpropanoate
InChI	InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3
InChI Key	PQUSVJVVRXWKDG-UHFFFAOYSA-N
MDL Number	MFCD00017854
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
NSC Number	406890
SMILES	CC(C)(Br)C(OC)=O
Synonyms	23426-63-3, methyl 2-bromo-2-methylpropanoate, Methyl 2-bromoisobutyrate, Methyl 2-bromo-2-methylpropionate, 2-Bromo-2-methylpropionic acid methyl ester, alpha-Bromoisobutyric acid methyl ester, Propanoic acid, 2-bromo-2-methyl-, methyl ester, Methyl alpha-bromoisobutyrate, PQUSVJVVRXWKDG-UHFFFAOYSA-N, 2-bromo-2-methyl-propionic acid methyl ester, methyl2-bromoisobutyrate, Methyl2-bromo-2-methylpropionate, EINECS 245-657-6, NSC406890, methyl a-bromoisobutyrate, AI3-15919, Methyl |A-bromoisobutyrate, Methyl 2-bromo-isobutyrate, AC1L3J9I, methyl-alpha-bromoisobutyrate, KSC202A3P, SCHEMBL117832, Methyl-2-bromo-isobutyric acid, AC1Q244E, Jsp004707, CTK1A2037, DTXSID40177982, methyl-2-bromo-2-methylpropanoate, 2-Bromoisobutyric acid methyl ester, KS-00000W2A, methyl 2-bromo-2-methyl-propanoate, methyl 2-bromo-2-methyl-propionate, ZINC1599529, methyl 2-bromo-2-methyl-proprionate, ANW-25120, MFCD00017854, AKOS015899417, MCULE-5360609815, NSC-406890, RL02742, TRA0058495, AJ-27948, AK106204, AS-12543, BC202292, CJ-05676, CJ-25711, SC-13472, 2-bromo-2-methyl-propanoic acid methylester, AB0005837, DB-020591, RT-001544, FT-0628443, ST24047682, 2-bromo-2-methyl-propionoic acid methyl ester, M-2601, Methyl alpha-bromoisobutyrate, >=99.0% (GC), 426B633, I14-1262, I14-7872, J-015106, J-521954, C5H9BrO2, C5-H9-Br-O2, CID90097, AR-1J6627, Methyl alpha-bromoisobutyrate, 99% 100ml, Methyl 2-bromoisobutyrate, 99% - 100ML 100ml, 23943-90-0,

Complexity	98.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.979g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.029g/mol
Monoisotopic Mass	179.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number