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Home > Bromides > 1443327-69-2
1443327-69-2 | 4-Bromo-4'-(methylthio)benzhydrol
CAS No: 1443327-69-2 Catalog No: AG01FEG9 MDL No:
Product Description
Catalog Number:
AG01FEG9
Chemical Name:
4-Bromo-4'-(methylthio)benzhydrol
CAS Number:
1443327-69-2
Molecular Formula:
C14H13BrOS
Molecular Weight:
309.2214
IUPAC Name:
(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
InChI:
InChI=1S/C14H13BrOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3
InChI Key:
YHJGPYVOQNNAEP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(c1ccc(cc1)Br)O
Properties
Complexity:
220
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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