Name: Name:Tetrabromophenolphthalein ethyl ester
Brand: Angene
SKU: AG00397F
Rating: 90 (10 reviews)

Tetrabromophenolphthalein ethyl ester

CAS No.:

1176-74-5

Catalog Number:

AG00397F

Molecular Formula:

C22H14Br4O4

Molecular Weight:

661.9602

Catalog Number:

AG00397F

Chemical Name:

Tetrabromophenolphthalein ethyl ester

CAS Number:

1176-74-5

Molecular Formula:

C22H14Br4O4

Molecular Weight:

661.9602

MDL Number:

MFCD00066387

IUPAC Name:

ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate

InChI:

InChI=1S/C22H14Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,27H,2H2,1H3

InChI Key:

SQFXATUXPUCFFO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(=C1)Br)c1cc(Br)c(c(c1)Br)O

EC Number:

214-645-2

UNII:

6D91NS781O

NSC Number:

16214

Complexity:

752

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

661.758g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

661.966g/mol

Monoisotopic Mass:

657.763g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.6