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7399-81-7 | 1-Propanone,2,3-dibromo-1-(2-hydroxyphenyl)-3-(2-thienyl)-
CAS No: 7399-81-7 Catalog No: AG005IPU MDL No:
Product Description
Catalog Number:
AG005IPU
Chemical Name:
1-Propanone,2,3-dibromo-1-(2-hydroxyphenyl)-3-(2-thienyl)-
CAS Number:
7399-81-7
Molecular Formula:
C13H10Br2O2S
Molecular Weight:
390.0903
IUPAC Name:
2,3-dibromo-1-(2-hydroxyphenyl)-3-thiophen-2-ylpropan-1-one
InChI:
InChI=1S/C13H10Br2O2S/c14-11(10-6-3-7-18-10)12(15)13(17)8-4-1-2-5-9(8)16/h1-7,11-12,16H
InChI Key:
HKNLBHVZPXYQJF-UHFFFAOYSA-N
SMILES:
BrC(C(C(=O)c1ccccc1O)Br)c1cccs1
NSC Number:
58444
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.875g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.089g/mol
Monoisotopic Mass:
387.877g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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