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82845-53-2 | bis(5-bromo-2-hydroxyphenyl)methanone
CAS No: 82845-53-2 Catalog No: AG004SM5 MDL No:
Product Description
Catalog Number:
AG004SM5
Chemical Name:
bis(5-bromo-2-hydroxyphenyl)methanone
CAS Number:
82845-53-2
Molecular Formula:
C13H8Br2O3
Molecular Weight:
372.0088
IUPAC Name:
bis(5-bromo-2-hydroxyphenyl)methanone
InChI:
InChI=1S/C13H8Br2O3/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6,16-17H
InChI Key:
VRLIJNKTPYPWQI-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Br)ccc1O)c1cc(Br)ccc1O
NSC Number:
4631
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.882g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.012g/mol
Monoisotopic Mass:
369.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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