Methyl 4-Acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate - CAS 748788-39-8

Catalog:	BB059967
Product Name:	Methyl 4-Acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate
CAS:	748788-39-8
Synonyms:	Methyl 4-acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate; METHYL 4-(ACETYLAMINO)-3-BROMO-2-(2-BROMOETHOXY)-5-CHLOROBENZOATE; Methyl4-acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate

Technical Data

IUPAC Name:	methyl 4-acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate
Description:	Methyl 4-Acetamido-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate is a useful intermediate in the synthesis of prucaloprides.It is used in synthetic method of prucalopride succinate intermediate aminochlorodihydrobenzofurancarboxylic acid.
Molecular Weight:	429.49
Molecular Formula:	C12H12Br2ClNO4
Canonical SMILES:	CC(=O)NC1=C(C=C(C(=C1Br)OCCBr)C(=O)OC)Cl
InChI:	InChI=1S/C12H12Br2ClNO4/c1-6(17)16-10-8(15)5-7(12(18)19-2)11(9(10)14)20-4-3-13/h5H,3-4H2,1-2H3,(H,16,17)
InChI Key:	DSGQFQSRBCHDNU-UHFFFAOYSA-N
References:	Yuan, Y., et al. Zhongguo Yiyao Gongye Zazhi, 43, 5 (2012); Wang, S., et al. From Faming Zhuanli Shenqing (2017), CN 107337658 A 20171110;Bao, L., et al. Faming Zhuanli Shenqing, (2017).

Complexity:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	428.88011
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	426.88216
Rotatable Bond Count:	6
Topological Polar Surface Area:	64.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3