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3-bromo-4-(methylsulfanyl)phenol

3-bromo-4-(methylsulfanyl)phenol

CAS: 1243458-10-7

Formula: C7H7BrOS

SMILES: CSC1=C(Br)C=C(O)C=C1

IUPAC: 3-bromo-4-(methylsulfanyl)phenol

InChI: InChI=1S/C7H7BrOS/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3

Composition: C (38.37%), H (3.22%), Br (36.47%), O (7.30%), S (14.63%)

Molar Mass: 219.1

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 217.940099
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ABSNKMSMFPCHCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.42
Topological Polar Surface Area 20.23
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 1243458-10-7 $1,960.00-$5,040.00$1,960.00$3,300.00$5,040.00
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