AG003RLI

1729-67-5 | methyl 2,3-dibromopropanoate

AG003RLI

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CAS Number	1729-67-5
Catalog Number	AG003RLI(AGN-PC-0JM1A9)
Chemical Name	methyl 2,3-dibromopropanoate
EC Number	217-044-3
IUPAC Name	methyl 2,3-dibromopropanoate
InChI	InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChI Key	ROXQOUUAPQUMLN-UHFFFAOYSA-N
MDL Number	MFCD00017882
Molecular Formula	C4H6Br2O2
Molecular Weight	245.8972
NSC Number	9372
SMILES	O=C(OC)C(Br)CBr
Synonyms	Methyl 2,3-dibromopropionate, Methyl 2,3-dibromopropanoate, 1729-67-5, Methyl dibromopropionate, Propanoic acid, 2,3-dibromo-, methyl ester, Propionic acid, 2,3-dibromo-, methyl ester, ROXQOUUAPQUMLN-UHFFFAOYSA-N, Methyl alpha,beta-dibromopropionate, Methyl .alpha.,.beta.-dibromopropionate, Caswell No. 561, Methyl 2,3-dibromo-propionic acid, NSC 9372, EINECS 217-044-3, methyl-2,3-dibromo, EPA Pesticide Chemical Code 077706, ACMC-1CUHI, AI3-50603, AC1L3UAO, Methyl2,3-dibromopropionate, DSSTox_CID_22145, DSSTox_RID_79936, DSSTox_GSID_42145, KSC497C3T, SCHEMBL296242, mehtyl 2,3-dibromo propionate, methyl 2,3-dibro-mopropanoate, AC1Q244W, CHEMBL3183093, DTXSID2042145, CTK3J7139, KS-00000WXO, NSC9372, 2,3-Dibromopropionicacidmethylester, 2,3-dibromo-propanoicacimethylester, ACT02898, NSC-9372, Tox21_301977, AB2902, MFCD00017882, AKOS000121389, AKOS022181546, MCULE-7056048789, VZ36272, 2,3-dibromo-propionic acid methyl ester, NCGC00255961-01, Propanoic acid,3-dibromo-, methyl ester, Propionic acid,3-dibromo-, methyl ester, AN-49783, AS-44668, BC676677, H276, SY007948, CAS-1729-67-5, RT-003552, FT-0624676, ST24047568, MFCD00017882 (97%), Methyl 2,3-dibromopropionate, >=97.0% (GC), I14-8327, J-010866, Propionic acid, 2,3-dibromo-, methyl ester (8CI), InChI=1/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H, Allylmagnesium bromide, UNII-69GU2PIR6V, oleanolic acid methyl ester, C4H6Br2O2, 69GU2PIR6V, C4-H6-Br2-O2, CID95428, AR-1J4510, Methyl (3beta)-3-hydroxyolean-12-en-28-oate, 33021-80-6,

Complexity	84.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.871g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.898g/mol
Monoisotopic Mass	243.873g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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