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1443333-34-3 | 3-Bromo-4'-(methylthio)benzhydrol
CAS No: 1443333-34-3 Catalog No: AG01FEGD MDL No:
Product Description
Catalog Number:
AG01FEGD
Chemical Name:
3-Bromo-4'-(methylthio)benzhydrol
CAS Number:
1443333-34-3
Molecular Formula:
C14H13BrOS
Molecular Weight:
309.2214
IUPAC Name:
(3-bromophenyl)-(4-methylsulfanylphenyl)methanol
InChI:
InChI=1S/C14H13BrOS/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14,16H,1H3
InChI Key:
ABNAPXAWFVSYHQ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(c1cccc(c1)Br)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.221g/mol
Monoisotopic Mass:
307.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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