AG00I971

51368-55-9 | Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester

AG00I971

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CAS Number	51368-55-9
Catalog Number	AG00I971(AGN-PC-0KL85B)
Chemical Name	Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester
EC Number	257-158-0
IUPAC Name	propan-2-yl 2-bromo-2-methylpropanoate
InChI	InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3
InChI Key	UNZJYKKJZGIFCG-UHFFFAOYSA-N
MDL Number	MFCD00055235
Molecular Formula	C7H13BrO2
Molecular Weight	209.0809
SMILES	C(=O)(OC(C)C)C(Br)(C)C
Synonyms	51368-55-9, ISOPROPYL 2-BROMO-2-METHYLPROPANOATE, Isopropyl 2-bromo-2-methylpropionate, 2-Bromo-2-methylpropionic acid isopropyl ester, Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester, isopropyl 2-bromoisobutyrate, W-105900, EINECS 257-158-0, AC1MDVC8, EC 257-158-0, SCHEMBL454299, CTK4J4115, DTXSID80199380, UNZJYKKJZGIFCG-UHFFFAOYSA-N, ZINC164799, ZX-AT010910, 7150AB, MFCD00055235, SBB054094, AKOS015918184, isopropyl 2-bromo-2-methyl-propanoate, methylethyl 2-bromo-2-methylpropanoate, AM90216, FCH1322627, OR28936, RP26488, ACM51368559, propan-2-yl 2-bromo-2-methylpropanoate, 2-Bromo-iso-butyric acid isopropyl ester, AJ-16290, AN-41292, CC-09396, SC-76897, ZB008305, AX8021137, DB-020590, propan-2-yl 2-bromanyl-2-methyl-propanoate, FT-0611572, I0920, ST24030800, 2-BROMOISOBUTYRIC ACID ISOPROPYL ESTER, Y-8979, 2-bromo-2-methylpropanoic acid propan-2-yl ester, A828559, C-10680, I14-7868, Propanoic acid,2-bromo-2-methyl-, 1-methylethyl ester, 2-[4-(2,4-Dichlorophenoxy)-phenoxy]propanoic acid methyl ester, C7H13BrO2, C7-H13-Br-O2, ZINC00164799, CID2796293, Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate,

Complexity	130
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	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
UN Code	UN 3272

Certificate of Analysis

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