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143704-24-9 | Butanedial, 2,3-bis(bromophenylmethyl)-2,3-dihydroxy-
CAS No: 143704-24-9 Catalog No: AG001I8N MDL No:
Product Description
Catalog Number:
AG001I8N
Chemical Name:
Butanedial, 2,3-bis(bromophenylmethyl)-2,3-dihydroxy-
CAS Number:
143704-24-9
Molecular Formula:
C18H16Br2O4
Molecular Weight:
456.1252
IUPAC Name:
2,3-bis[bromo(phenyl)methyl]-2,3-dihydroxybutanedial
InChI:
InChI=1S/C18H16Br2O4/c19-15(13-7-3-1-4-8-13)17(23,11-21)18(24,12-22)16(20)14-9-5-2-6-10-14/h1-12,15-16,23-24H
InChI Key:
ZFVYPCNDXKTVJU-UHFFFAOYSA-N
SMILES:
O=CC(C(C(c1ccccc1)Br)(C=O)O)(C(c1ccccc1)Br)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.939g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.13g/mol
Monoisotopic Mass:
453.942g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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