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114113-99-4 | Benzenemethanol, 3,5-dibromo-4-methoxy-
CAS No: 114113-99-4 Catalog No: AG000ALE MDL No:MFCD12047705
Product Description
Catalog Number:
AG000ALE
Chemical Name:
Benzenemethanol, 3,5-dibromo-4-methoxy-
CAS Number:
114113-99-4
Molecular Formula:
C8H8Br2O2
Molecular Weight:
295.9559
MDL Number:
MFCD12047705
IUPAC Name:
(3,5-dibromo-4-methoxyphenyl)methanol
InChI:
InChI=1S/C8H8Br2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChI Key:
VCOAUEHHKOSWHO-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1Br)CO
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.887g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.958g/mol
Monoisotopic Mass:
293.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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