Name: Name:(2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran
Brand: Angene
SKU: AG019EZO
Rating: 90 (10 reviews)

(2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran

CAS No.:

1800015-70-6

Catalog Number:

AG019EZO

Molecular Formula:

C23H21BrO4

Molecular Weight:

441.3144

Catalog Number:

AG019EZO

Chemical Name:

(2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran

CAS Number:

1800015-70-6

Molecular Formula:

C23H21BrO4

Molecular Weight:

441.3144

MDL Number:

MFCD29059411

IUPAC Name:

(2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran

InChI:

InChI=1S/C23H21BrO4/c1-25-17-7-4-14(5-8-17)23-22(20-12-16(24)6-9-21(20)28-23)15-10-18(26-2)13-19(11-15)27-3/h4-13,22-23H,1-3H3/t22-,23-/m1/s1

InChI Key:

CMZCMAJEZRWTMR-DHIUTWEWSA-N

SMILES:

COc1ccc(cc1)[C@H]1Oc2c([C@H]1c1cc(OC)cc(c1)OC)cc(cc2)Br

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

440.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.321g/mol

Monoisotopic Mass:

440.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5