AG00336V

39149-80-9 | tert-Butyl 2-bromopropanoate

AG00336V

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CAS Number	39149-80-9
Catalog Number	AG00336V(AGN-PC-00JX6R)
Chemical Name	tert-Butyl 2-bromopropanoate
EC Number	675-664-3
IUPAC Name	tert-butyl 2-bromopropanoate
InChI	InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChI Key	CVAWKJKISIPBOD-UHFFFAOYSA-N
MDL Number	MFCD00043897
Molecular Formula	C7H13BrO2
Molecular Weight	209.0809
SMILES	BrC(C(=O)OC(C)(C)C)C
Synonyms	tert-Butyl 2-bromopropanoate, 39149-80-9, 2-Bromopropionic acid tert-butyl ester, tert-Butyl 2-Bromopropionate, t-butyl 2-bromopropionate, tert-butyl2-bromopropanoate, CVAWKJKISIPBOD-UHFFFAOYSA-N, Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, 2-bromo-propionic acid tert-butyl ester, 2-BROMOPROPIONICACIDTERT-BUTYLESTER, t-butyl bromopropionate, AC1LBZS6, tert-butyl bromopropionate, t-butyl 2-bromopropanoate, ACMC-209j3n, tert-butyl 2-bromopropanate, tert-butyl-2-bromopropionate, SCHEMBL162214, 2-bromopropionate t-butyl ester, tert-Butyl 2-bromopropanoate #, CTK4I0995, CVAWKJKISIPBOD-UHFFFAOYSA-, KS-00000VEP, DTXSID40337887, 2-bromopropionic acid t-butyl ester, bromopropionic acid tert-butyl ester, 1,1-dimethylethyl 2-bromopropanoate, 1,1-dimethylethyl 2-bromopropionate, 2-bromopropionic acid tert-butylester, ANW-29025, MFCD00043897, AKOS015902266, 2-Bromopropionic acid tert-butyl-ester, NE10995, TRA0067509, 2-Bromo-propanoic acid tert-butyl ester, 2-bromopropionic acid, tert-butyl ester, AK145610, AS-30233, SC-89805, tert-Butyl 2-bromopropanoate, AldrichCPR, DB-020739, TX-017990, B1277, FT-0639530, ST24049669, EN300-82142, (+/-) 2-Bromopropionic acid tert-butyl ester, M111028, Propanoic acid,2-bromo-, 1,1-dimethylethyl ester, I14-13723, InChI=1/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3, tert-butyl 3-bromopropanoate, CID545327,

Complexity	126
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	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Signal Words	warning
UN Code	UN 3272

Certificate of Analysis

Lot Number